1-(1-Ethynylcyclohexyl)piperidine

HCID 305916

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 51165-02-7
Standard SMILES: C#CC1(N2CCCCC2)CCCCC1
InChIKey: BICZRLVUNMLWKJ-UHFFFAOYSA-N
Molecular formula: C13H21N
Average molar mass: 191.31 g/mol
Monoisotopic mass: 191.16739967

Names & identifiers

Preferred name: 1-(1-Ethynylcyclohexyl)piperidine
IUPAC: 1-(1-ethynylcyclohexyl)piperidine

Names & synonyms

1-(1-ethynylcyclohexyl)piperidineMLS00310717851165-02-7NSC2030651-piperidinocyclohexylacetyleneSCHEMBL5231438CHEMBL2132997DTXSID60308317BICZRLVUNMLWKJ-UHFFFAOYSA-NNSC-203065SMR001822055DB-215433

Database identifiers

CAS: 51165-02-7
PubChem CID: 305916
DTXSID: DTXSID60308317
ChEMBL: CHEMBL2132997
Nikkaji: J1.225.283H

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 223

Related reactions

4 records

New reaction record

HRID 807834As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 830895As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 2216362As productuspto-grants-2006_09

HRID 2216377As reactantuspto-grants-2006_09

Compound notes

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