Benzyl piperidine-1-carboxylate

HCID 228749CAS 3742-91-4
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(OCc1ccccc1)N1CCCCC1
InChIKey
TUWZZXGAUMSUOB-UHFFFAOYSA-N
Molecular formula
C13H17NO2
Average molar mass
219.28 g/mol
Monoisotopic mass
219.12592879

Names & identifiers

Preferred name
Benzyl piperidine-1-carboxylate
IUPAC
benzyl piperidine-1-carboxylate
English name
benzyl piperidine-1-carboxylate
Molecular formula
C13H17NO2
Molecular weight
219.28

Names & synonyms

benzyl piperidine-1-carboxylate3742-91-4DTXSID00281514RefChem:328699DTXCID60232668MFCD111109471-Z-Piperidine1-Cbz-piperidine1-Piperidinecarboxylic acid, phenylmethyl esterbenzyl 1-piperidinecarboxylateCbz-piperidineN-Cbz-piperidine
Show more names
NSC21864piperidine-1-carboxylic acid benzyl esterbenzyloxycarbonylpiperidinN-carbobenzyloxy piperidineN-benzyloxycarbonyl piperidinebenzylpiperidine-1-carboxylateSCHEMBL771824SCHEMBL794423

Database identifiers

CAS
3742-91-4
PubChem CID
228749
DTXSID
DTXSID00281514
Nikkaji
J896.810A

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Boiling point
129 · 129-131 °C(Press: 0.5 Torr)
Density
1.119 · 1.119±0.06 g/cm3(Predicted)
pka
-1.33 · -1.33±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers8 total

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
淮安海玻瑞恩医药研发有限公司18114966287 · [email protected]

Related reactions

9 records
New reaction record

Linked notes

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