1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile

C19H26N2O — CID 23133805

IUPAC1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile
SMILESCOc1cccc(C2(C#N)CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C19H26N2O/c1-22-18-7-5-6-16(14-18)19(15-20)10-8-17(9-11-19)21-12-3-2-4-13-21/h5-7,14,17H,2-4,8-13H2,1H3
InChIKeyYKJGRQOXLKHDCE-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.89
Rot. Bonds3

About 1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile

1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile (PubChem CID 23133805) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile
PubChem CID23133805
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile
SMILESCOc1cccc(C2(C#N)CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C19H26N2O/c1-22-18-7-5-6-16(14-18)19(15-20)10-8-17(9-11-19)21-12-3-2-4-13-21/h5-7,14,17H,2-4,8-13H2,1H3
InChIKeyYKJGRQOXLKHDCE-UHFFFAOYSA-N
XLogP3.89
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile
CID 23133668
1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile
CID 23133699
4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile
CID 23133797
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110
(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 3044358
1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride
CID 23133669
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile
CID 23133712
4-[4-cyano-4-(3-phenylmethoxyphenyl)cyclohexyl]piperazine-1-carboxylic acid
CID 69453939
1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexane-1-carbonitrile
CID 23133727
4-[4-cyano-4-(3-fluorophenyl)cyclohexyl]-1,4-diazepane-1-carboxylic acid
CID 166720996
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile (CID 23133805) is 1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile is COc1cccc(C2(C#N)CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile?
The InChIKey is YKJGRQOXLKHDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-22-18-7-5-6-16(14-18)19(15-20)10-8-17(9-11-19)21-12-3-2-4-13-21/h5-7,14,17H,2-4,8-13H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile?
1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile has a molecular weight of 298.43 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 23133805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).