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

C18H25N3O — CID 23133699

IUPAC1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile
SMILESCOc1cccc(C2(C#N)CCC(N3CCNCC3)CC2)c1
InChIInChI=1S/C18H25N3O/c1-22-17-4-2-3-15(13-17)18(14-19)7-5-16(6-8-18)21-11-9-20-10-12-21/h2-4,13,16,20H,5-12H2,1H3
InChIKeyLSNMHMWNGPRHON-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.30
Rot. Bonds3

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

1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile (PubChem CID 23133699) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile
PubChem CID23133699
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile
SMILESCOc1cccc(C2(C#N)CCC(N3CCNCC3)CC2)c1
InChIInChI=1S/C18H25N3O/c1-22-17-4-2-3-15(13-17)18(14-19)7-5-16(6-8-18)21-11-9-20-10-12-21/h2-4,13,16,20H,5-12H2,1H3
InChIKeyLSNMHMWNGPRHON-UHFFFAOYSA-N
XLogP2.30
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile
CID 23133805
1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile
CID 23133668
4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile
CID 23133797
1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride
CID 23133669
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110
4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile
CID 22993489
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
2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile
CID 174481601
4-[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]benzenesulfonamide
CID 23133806

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile (CID 23133699) is 1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile is COc1cccc(C2(C#N)CCC(N3CCNCC3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile?
The InChIKey is LSNMHMWNGPRHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-22-17-4-2-3-15(13-17)18(14-19)7-5-16(6-8-18)21-11-9-20-10-12-21/h2-4,13,16,20H,5-12H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile?
1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile has a molecular weight of 299.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 23133699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).