ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate

C15H24N2O2 — CID 43291775

IUPACethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CCCCC2C#N)C1
InChIInChI=1S/C15H24N2O2/c1-2-19-15(18)13-7-5-9-17(11-13)14-8-4-3-6-12(14)10-16/h12-14H,2-9,11H2,1H3
InChIKeyZBDFOUJFQBDKLJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.34
Rot. Bonds3

About ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate

ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate (PubChem CID 43291775) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate
PubChem CID43291775
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CCCCC2C#N)C1
InChIInChI=1S/C15H24N2O2/c1-2-19-15(18)13-7-5-9-17(11-13)14-8-4-3-6-12(14)10-16/h12-14H,2-9,11H2,1H3
InChIKeyZBDFOUJFQBDKLJ-UHFFFAOYSA-N
XLogP2.34
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate
CID 43291772
ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate
CID 43291771
ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
ethyl (3S)-1-hydroxypiperidine-3-carboxylate
CID 142359331
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
CID 12519345
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
CID 64775486
ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate
CID 115538019
cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 12917208
ethyl 1-(3-cyanopropyl)piperidine-3-carboxylate
CID 15598963
ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 43180301
methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate
CID 115537102

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate (CID 43291775) is ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C2CCCCC2C#N)C1.
What is the InChIKey of ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate?
The InChIKey is ZBDFOUJFQBDKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-19-15(18)13-7-5-9-17(11-13)14-8-4-3-6-12(14)10-16/h12-14H,2-9,11H2,1H3.
What are the key properties of ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate?
ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate is sourced from PubChem (CID 43291775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).