3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol

C20H26N2O — CID 135009491

IUPAC3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol
SMILESOCCCN1CCN(Cc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C20H26N2O/c23-15-7-12-21-13-14-22(16-18-8-3-1-4-9-18)20(17-21)19-10-5-2-6-11-19/h1-6,8-11,20,23H,7,12-17H2
InChIKeyRCBUORFTFHUTAA-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.93
Rot. Bonds6

About 3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol

3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol (PubChem CID 135009491) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol
PubChem CID135009491
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol
SMILESOCCCN1CCN(Cc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C20H26N2O/c23-15-7-12-21-13-14-22(16-18-8-3-1-4-9-18)20(17-21)19-10-5-2-6-11-19/h1-6,8-11,20,23H,7,12-17H2
InChIKeyRCBUORFTFHUTAA-UHFFFAOYSA-N
XLogP2.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cinnarizine
CID 1547484
Cyclizine
CID 6726
Cyclizine Hydrochloride
CID 6420019
1,4-Dibenzylpiperazine
CID 200601
1-(1-Phenylcyclohexyl)-4-hydroxypiperidine
CID 98840
(E)-1-Benzhydryl-4-cinnamylpiperazine
CID 1615336
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
N,N-Dibenzylethanolamine
CID 22657
MT-45
CID 431865
Diphemethoxidine
CID 65607
Cyclizine dihydrochloride
CID 67533
1-(Diphenylmethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2761

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol (CID 135009491) is 3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol is OCCCN1CCN(Cc2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol?
The InChIKey is RCBUORFTFHUTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c23-15-7-12-21-13-14-22(16-18-8-3-1-4-9-18)20(17-21)19-10-5-2-6-11-19/h1-6,8-11,20,23H,7,12-17H2.
What are the key properties of 3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol?
3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol has a molecular weight of 310.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-3-phenylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 135009491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).