1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride

C23H31Cl2N3O — CID 174600043

IUPAC1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride
SMILESCl.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccccc3)CC2O)CC1
InChIInChI=1S/C23H30ClN3O.ClH/c24-19-6-4-5-18(15-19)23(17-25)11-9-21(10-12-23)27-14-13-26(16-22(27)28)20-7-2-1-3-8-20;/h1-8,15,21-22,28H,9-14,16-17,25H2;1H
InChIKeyXXEICDORPFCZRI-UHFFFAOYSA-N
MW436.43 g/mol
LogP4.04
Rot. Bonds4

About 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride

1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride (PubChem CID 174600043) has the molecular formula C23H31Cl2N3O and a molecular weight of 436.43 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride
PubChem CID174600043
Molecular FormulaC23H31Cl2N3O
Molecular Weight436.43 g/mol
Exact Mass435.18
IUPAC Name1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride
SMILESCl.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccccc3)CC2O)CC1
InChIInChI=1S/C23H30ClN3O.ClH/c24-19-6-4-5-18(15-19)23(17-25)11-9-21(10-12-23)27-14-13-26(16-22(27)28)20-7-2-1-3-8-20;/h1-8,15,21-22,28H,9-14,16-17,25H2;1H
InChIKeyXXEICDORPFCZRI-UHFFFAOYSA-N
XLogP4.04
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-one
CID 70295374
(5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride
CID 174600223
4-[(4S)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-2-oxoimidazolidin-1-yl]benzoic acid;hydrochloride
CID 71184314
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-phenylpyridazin-3-one;hydrochloride
CID 71184621
(8aR)-2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 70297118
4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride
CID 71184532
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-benzylpiperazine-2,5-dione
CID 71184394
4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde
CID 174584773
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1,4-dihydroisoquinolin-3-one
CID 70297048
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
CID 71184478
5-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]thiophene-2-carboxylic acid;hydrochloride
CID 71184627

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride (CID 174600043) is 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride is Cl.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccccc3)CC2O)CC1.
What is the InChIKey of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride?
The InChIKey is XXEICDORPFCZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O.ClH/c24-19-6-4-5-18(15-19)23(17-25)11-9-21(10-12-23)27-14-13-26(16-22(27)28)20-7-2-1-3-8-20;/h1-8,15,21-22,28H,9-14,16-17,25H2;1H.
What are the key properties of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride?
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride has a molecular weight of 436.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride is sourced from PubChem (CID 174600043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).