Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate

HCID 736490

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Basic information

CAS: 122860-33-7
Standard SMILES: O=C(OCc1ccccc1)N1CCC(CO)CC1
InChIKey: LINIORCIRVAZSM-UHFFFAOYSA-N
Molecular formula: C14H19NO3
Average molar mass: 249.3 g/mol
Monoisotopic mass: 249.13649347

Names & identifiers

Preferred name: Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
IUPAC: benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
English name: 1-Cbz-4-hydroxymethylpiperidine
Molecular formula: C14H19NO3
Molecular weight: 249.31

Names & synonyms

122860-33-7benzyl 4-(hydroxymethyl)piperidine-1-carboxylateDTXSID90353037RefChem:328495DTXCID90304100675-939-81-Cbz-4-hydroxymethylpiperidineN-Cbz-4-(hydroxymethyl)piperidinen-cbz-4-piperidinemethanol1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-, phenylmethyl esterMFCD020944901-N-Cbz-hydroxymethyl-piperidine

Show more names

benzyl 4-(hydroxymethyl)piperidine-N-carboxylateZ-PIC(4)-OLZ-ISONIPECOTINOLBUTTPARK 75\50-51Z-ISONICOT(H6)-OLN-Cbz-4-(hydroxymethyLN- Cbz-4-piperidinemethanolN-CARBOBENZOXY-4-PIPECOLINOL

1-n-cbz-4-hydroxymethyl-piperidine1-cbz-4-hydroxy methyl piperidinebenzyl 4-(hydroxymethyl)tetrahydro-1(2h)-pyridinecarboxylate4-Hydroxymethyl-Piperidine-1-Carboxylic Acid Benzyl Ester4-hydroxymethylpiperidine-1-carboxylic acid benzyl ester1-cbz-4-hydroxymethyl-piperidinephenylmethyl 4-(hydroxymethyl)piperidinecarboxylate1-n-cbz-4-hydroxymethylpiperidine

Database identifiers

CAS: 122860-33-7
PubChem CID: 736490
DTXSID: DTXSID90353037
EC Number: 675-939-8

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 256

Physicochemical properties

Boiling point: 396.4 · 396.4±25.0 °C(Predicted)
Density: 1.162 · 1.162±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.94 · 14.94±0.10(Predicted)
Appearance: Colorless to off-white Solid-liquid mixture
CAS DataBase Reference: 122860 · 122860-33-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-37/39
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933399990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-37/39
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications · 1 item

Uses1-N-Cbz-hydroxymethyl-piperidine is an intermediate used in the synthesis of benzoyloxyethylpiperidinylmethylamine as fluorescent antagonists for human 5-HT4 receptors. It is also used to prepare diaminobutane derivatives as potent Ca2+-Permeable AMPA receptor antagonists.