3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol

C26H30N2O — CID 4313601

IUPAC3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol
SMILESOC(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H30N2O/c29-25(22-10-4-1-5-11-22)16-17-27-18-20-28(21-19-27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25-26,29H,16-21H2
InChIKeyGNRPHCIICDRMRL-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.52
Rot. Bonds7

About 3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol

3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol (PubChem CID 4313601) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol
PubChem CID4313601
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol
SMILESOC(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H30N2O/c29-25(22-10-4-1-5-11-22)16-17-27-18-20-28(21-19-27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25-26,29H,16-21H2
InChIKeyGNRPHCIICDRMRL-UHFFFAOYSA-N
XLogP4.52
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol?
The IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol (CID 4313601) is 3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol is OC(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol?
The InChIKey is GNRPHCIICDRMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c29-25(22-10-4-1-5-11-22)16-17-27-18-20-28(21-19-27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25-26,29H,16-21H2.
What are the key properties of 3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol?
3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol has a molecular weight of 386.54 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 4313601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).