2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile

C15H26N2O — CID 54985301

IUPAC2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile
SMILESCCOC1CCCN(C2CC(C)CCC2C#N)C1
InChIInChI=1S/C15H26N2O/c1-3-18-14-5-4-8-17(11-14)15-9-12(2)6-7-13(15)10-16/h12-15H,3-9,11H2,1-2H3
InChIKeyLHFQKSHKKYNGQI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.82
Rot. Bonds3

About 2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile

2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile (PubChem CID 54985301) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile
PubChem CID54985301
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile
SMILESCCOC1CCCN(C2CC(C)CCC2C#N)C1
InChIInChI=1S/C15H26N2O/c1-3-18-14-5-4-8-17(11-14)15-9-12(2)6-7-13(15)10-16/h12-15H,3-9,11H2,1-2H3
InChIKeyLHFQKSHKKYNGQI-UHFFFAOYSA-N
XLogP2.82
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate
CID 43291772
trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol
CID 102732019
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-propylcyclohexane-1-carbonitrile
CID 63151145
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-4-methylcyclohexane-1-carbonitrile
CID 107223072
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63150575
ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate
CID 43291771
4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
CID 43291716
2-(3-methoxypiperidin-1-yl)-4-methylcyclohexan-1-ol
CID 102966101
4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
CID 63362313
methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate
CID 43291778
2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996695

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile (CID 54985301) is 2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile is CCOC1CCCN(C2CC(C)CCC2C#N)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile?
The InChIKey is LHFQKSHKKYNGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-18-14-5-4-8-17(11-14)15-9-12(2)6-7-13(15)10-16/h12-15H,3-9,11H2,1-2H3.
What are the key properties of 2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile?
2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 54985301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).