1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride

C19H29Cl2N3O — CID 23133669

IUPAC1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride
SMILESCOc1cccc(C2(C#N)CCC(NC3CCNCC3)CC2)c1.Cl.Cl
InChIInChI=1S/C19H27N3O.2ClH/c1-23-18-4-2-3-15(13-18)19(14-20)9-5-16(6-10-19)22-17-7-11-21-12-8-17;;/h2-4,13,16-17,21-22H,5-12H2,1H3;2*1H
InChIKeySUMILTNYHXNUNZ-UHFFFAOYSA-N
MW386.37 g/mol
LogP3.58
Rot. Bonds4

About 1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride

1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride (PubChem CID 23133669) has the molecular formula C19H29Cl2N3O and a molecular weight of 386.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride
PubChem CID23133669
Molecular FormulaC19H29Cl2N3O
Molecular Weight386.37 g/mol
Exact Mass385.17
IUPAC Name1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride
SMILESCOc1cccc(C2(C#N)CCC(NC3CCNCC3)CC2)c1.Cl.Cl
InChIInChI=1S/C19H27N3O.2ClH/c1-23-18-4-2-3-15(13-18)19(14-20)9-5-16(6-10-19)22-17-7-11-21-12-8-17;;/h2-4,13,16-17,21-22H,5-12H2,1H3;2*1H
InChIKeySUMILTNYHXNUNZ-UHFFFAOYSA-N
XLogP3.58
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile
CID 23133699
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110
1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile
CID 23133712
1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexane-1-carbonitrile
CID 23133727
4-[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]benzenesulfonamide
CID 23133806
1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile
CID 23133805
3-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide
CID 23133731
1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile
CID 23133668
4-(2,3-dihydro-1H-inden-2-ylamino)-1-(3,4-dimethoxyphenyl)cyclohexane-1-carbonitrile;hydrochloride
CID 14392041
4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile
CID 23133797
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile
CID 174481601

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride?
The IUPAC name of 1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride (CID 23133669) is 1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride is COc1cccc(C2(C#N)CCC(NC3CCNCC3)CC2)c1.Cl.Cl.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride?
The InChIKey is SUMILTNYHXNUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O.2ClH/c1-23-18-4-2-3-15(13-18)19(14-20)9-5-16(6-10-19)22-17-7-11-21-12-8-17;;/h2-4,13,16-17,21-22H,5-12H2,1H3;2*1H.
What are the key properties of 1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride?
1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride has a molecular weight of 386.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride is sourced from PubChem (CID 23133669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).