4-[2-(Pyrrolidin-1-yl)ethyl]piperidine

HCID 296293CAS 14759-08-1

Substructure search Find similar structures

Basic information

Standard SMILES: C1CCN(CCC2CCNCC2)C1
InChIKey: LLCRHLSCWWMNEC-UHFFFAOYSA-N
Molecular formula: C11H22N2
Average molar mass: 182.31 g/mol
Monoisotopic mass: 182.1782987

Names & identifiers

Preferred name: 4-[2-(Pyrrolidin-1-yl)ethyl]piperidine
IUPAC: 4-(2-pyrrolidin-1-ylethyl)piperidine
English name: 4-(2-PYRROLIDINOETHYL)PIPERIDINE
Molecular formula: C11H22N2
Molecular weight: 182.31

Names & synonyms

4-[2-(pyrrolidin-1-yl)ethyl]piperidine4-(2-(Pyrrolidin-1-yl)ethyl)piperidineDTXSID90304569RefChem:517260DTXCID10255701604-590-614759-08-14-(2-PYRROLIDINOETHYL)PIPERIDINE4-(2-pyrrolidin-1-ylethyl)piperidinePiperidine, 4-[2-(1-pyrrolidinyl)ethyl]-MFCD030929394-(2-Pyrrolidin-1-yl-ethyl)-piperidine

Show more names

1-[2-(Piperidin-4-yl)ethyl]pyrrolidine4-[2-(Pyrrolidin-1-yl)ethyl]piperidine98%4-[2-(Pyrrolidin-1-yl)ethyl]piperidine 98%

4-[2-(1-pyrrolidinyl)ethyl]piperidine4-(2-pyrrolidinylethyl)piperidineNSC166304SCHEMBL640737SCHEMBL2172470LLCRHLSCWWMNEC-UHFFFAOYSA-NALBB-021375SBB073146

Database identifiers

CAS: 14759-08-1
PubChem CID: 296293
DTXSID: DTXSID90304569
EC Number: 604-590-6

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 135

Physicochemical properties

Boiling point: 253 ℃ · 253℃
Density: 0.93 · 0.930
Flash point: 90 ℃ · 90℃
storage temp.: 2 · 2-8°C
pka: 10.63 · 10.63±0.10(Predicted)
form: solid
color: Yellow to beige
InChI: 1S/C11H22N2/c1-2-9-13(8-1)10-5-11-3-6-12-7-4-11/h11-12H,1-10H2
InChIKey: LLCRHLSCWWMNEC-UHFFFAOYSA-N
SMILES: C1CCN(C1)CCC2CCNCC2
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS06,GHS08
Signal word: Danger
Hazard statements: 330 · H330-H311-H302-H315-H318-H371-H317
Precautionary statements: 501 · P501-P272-P260-P270-P271-P264-P280-P284-P308+P311-P361+P364-P333+P313-P301+P312+P330-P302+P352+P312-P304+P340+P310-P305+P351+P338+P310-P403+P233-P405
WGK Germany: 3 · WGK 3
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: WGK 3
hs_code: 2933399990
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS08
Storage Class: 11 - Combustible Solids
Hazard statements: H330-H311-H302-H315-H318-H371-H317
Precautionary statements: P501-P272-P260-P270-P271-P264-P280-P284-P308+P311-P361+P364-P333+P313-P301+P312+P330-P302+P352+P312-P304+P340+P310-P305+P351+P338+P310-P403+P233-P405