3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride

C25H28Cl2N2O — CID 11957475

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride
SMILESCl.OC(CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27ClN2O.ClH/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21;/h1-13,18,24-25,29H,14-17,19H2;1H
InChIKeyKQGJIKWDFWLCHO-UHFFFAOYSA-N
MW443.42 g/mol
LogP5.08
Rot. Bonds6

About 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride

3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride (PubChem CID 11957475) has the molecular formula C25H28Cl2N2O and a molecular weight of 443.42 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride
PubChem CID11957475
Molecular FormulaC25H28Cl2N2O
Molecular Weight443.42 g/mol
Exact Mass442.16
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride
SMILESCl.OC(CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27ClN2O.ClH/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21;/h1-13,18,24-25,29H,14-17,19H2;1H
InChIKeyKQGJIKWDFWLCHO-UHFFFAOYSA-N
XLogP5.08
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-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

3-(4-(3-Chlorophenyl)piperazin-1-yl)-1,1-diphenyl-2-propanol
CID 3654103
(R,S/S,R)-syn-1-((3-chlorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897484
2-[4-(3-Chlorophenyl)piperazino]-1-phenyl-1-ethanol
CID 2766984
3-(4-(4-Chlorophenyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 10592579
3-(4-(2-Chlorophenyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 10830318
1-(3,4-Dichlorophenyl)-3-[4-(2-phenylphenyl)piperazin-1-yl]propan-1-ol
CID 145974713
1-(3,4-Dichlorophenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 145977297
2-[4-(3-Chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 2766996
2-[4-(2-Chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 3930683
2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-chlorophenyl]-(2-chlorophenyl)methyl]-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 2827046
1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-chlorophenyl)piperazine
CID 137643839
1-Piperazineethanol, alpha-benzyl-4-phenyl-
CID 278305

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride (CID 11957475) is 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride is Cl.OC(CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride?
The InChIKey is KQGJIKWDFWLCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O.ClH/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21;/h1-13,18,24-25,29H,14-17,19H2;1H.
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride?
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride has a molecular weight of 443.42 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 11957475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).