ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate

C17H28N2O2 — CID 43291771

IUPACethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CC(CC)CCC2C#N)C1
InChIInChI=1S/C17H28N2O2/c1-3-13-7-8-14(11-18)16(10-13)19-9-5-6-15(12-19)17(20)21-4-2/h13-16H,3-10,12H2,1-2H3
InChIKeyFHVYIGCLHCTOMK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.98
Rot. Bonds4

About ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate

ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate (PubChem CID 43291771) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate
PubChem CID43291771
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CC(CC)CCC2C#N)C1
InChIInChI=1S/C17H28N2O2/c1-3-13-7-8-14(11-18)16(10-13)19-9-5-6-15(12-19)17(20)21-4-2/h13-16H,3-10,12H2,1-2H3
InChIKeyFHVYIGCLHCTOMK-UHFFFAOYSA-N
XLogP2.98
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.98
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-cyanocyclohexyl)piperidine-3-carboxylate
CID 43291775
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
CID 64775486
4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
CID 63362313
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 43584491
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291498
4-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)cyclohexane-1-carbonitrile
CID 107404565
ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate
CID 115538019
2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63160347

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate (CID 43291771) is ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C2CC(CC)CCC2C#N)C1.
What is the InChIKey of ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate?
The InChIKey is FHVYIGCLHCTOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-13-7-8-14(11-18)16(10-13)19-9-5-6-15(12-19)17(20)21-4-2/h13-16H,3-10,12H2,1-2H3.
What are the key properties of ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate?
ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate has a molecular weight of 292.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate is sourced from PubChem (CID 43291771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).