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

C15H26N2 — CID 43584491

IUPAC2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile
SMILESCCC1CCCN(C2CC(C)CCC2C#N)C1
InChIInChI=1S/C15H26N2/c1-3-13-5-4-8-17(11-13)15-9-12(2)6-7-14(15)10-16/h12-15H,3-9,11H2,1-2H3
InChIKeyFAIICKRAWADRCG-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.44
Rot. Bonds2

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

2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile (PubChem CID 43584491) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile
PubChem CID43584491
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile
SMILESCCC1CCCN(C2CC(C)CCC2C#N)C1
InChIInChI=1S/C15H26N2/c1-3-13-5-4-8-17(11-13)15-9-12(2)6-7-14(15)10-16/h12-15H,3-9,11H2,1-2H3
InChIKeyFAIICKRAWADRCG-UHFFFAOYSA-N
XLogP3.44
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxypiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 54985301
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-methylcyclohexyl)piperidine-3-carboxylate
CID 43291772
4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291557
4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
CID 63362313
4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291498
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-propylcyclohexane-1-carbonitrile
CID 63151145
4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate
CID 43291771
2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
CID 43291716
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-4-methylcyclohexane-1-carbonitrile
CID 107223072
4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102957789

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile (CID 43584491) is 2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile is CCC1CCCN(C2CC(C)CCC2C#N)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile?
The InChIKey is FAIICKRAWADRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-13-5-4-8-17(11-13)15-9-12(2)6-7-14(15)10-16/h12-15H,3-9,11H2,1-2H3.
What are the key properties of 2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile?
2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile has a molecular weight of 234.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43584491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).