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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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).