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

C25H27ClN2O — CID 3654103

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol
SMILESOC(CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27ClN2O/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
InChIKeyQJHCTHPYUOXOGM-UHFFFAOYSA-N
MW406.96 g/mol
LogP4.66
Rot. Bonds6

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

3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol (PubChem CID 3654103) has the molecular formula C25H27ClN2O and a molecular weight of 406.96 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol
PubChem CID3654103
Molecular FormulaC25H27ClN2O
Molecular Weight406.96 g/mol
Exact Mass406.18
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol
SMILESOC(CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27ClN2O/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
InChIKeyQJHCTHPYUOXOGM-UHFFFAOYSA-N
XLogP4.66
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperazineethanol, 4-(3-chlorophenyl)-alpha-(diphenylmethyl)-, hydrochloride (1:2)
CID 11957475
(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
2-[4-(3-Chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 2766996
2-[4-(2-Chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 3930683
1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-chlorophenyl)piperazine
CID 137643839
1-Piperazineethanol, alpha-benzyl-4-phenyl-
CID 278305
3-(4-(3-Chlorophenyl)piperazin-1-yl)-1,1-diphenylpropan-2-ol dihydrochloride
CID 9891303
1-(4-Chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 2766991

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol (CID 3654103) is 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol is 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?
The InChIKey is QJHCTHPYUOXOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O/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.
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol?
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol has a molecular weight of 406.96 g/mol, XLogP of 4.66, 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 is sourced from PubChem (CID 3654103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).