4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile

C15H26N2 — CID 43291498

IUPAC4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCC(C)CC2)C1
InChIInChI=1S/C15H26N2/c1-3-13-4-5-14(11-16)15(10-13)17-8-6-12(2)7-9-17/h12-15H,3-10H2,1-2H3
InChIKeyGKNDFHVKAPTAGG-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.44
Rot. Bonds2

About 4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile

4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 43291498) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
PubChem CID43291498
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCC(C)CC2)C1
InChIInChI=1S/C15H26N2/c1-3-13-4-5-14(11-16)15(10-13)17-8-6-12(2)7-9-17/h12-15H,3-10H2,1-2H3
InChIKeyGKNDFHVKAPTAGG-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-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63160347
4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102957789
4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile
CID 62968579
4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile
CID 63091654
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63150575
4-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)cyclohexane-1-carbonitrile
CID 107404565
4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
CID 43291716
2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile
CID 43585983
2-(3-ethylpiperidin-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 43584491
2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
CID 61441188
4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
CID 63362313

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile (CID 43291498) is 4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N2CCC(C)CC2)C1.
What is the InChIKey of 4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is GKNDFHVKAPTAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-13-4-5-14(11-16)15(10-13)17-8-6-12(2)7-9-17/h12-15H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-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 4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43291498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).