1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one

C24H32N2O2 — CID 10407430

IUPAC1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one
SMILESCC(C)CC(O)(C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-20(2)17-24(28,22-11-7-4-8-12-22)23(27)19-26-15-13-25(14-16-26)18-21-9-5-3-6-10-21/h3-12,20,28H,13-19H2,1-2H3
InChIKeyBXPZZRSJZXTCIG-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.31
Rot. Bonds8

About 1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one

1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one (PubChem CID 10407430) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one
PubChem CID10407430
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one
SMILESCC(C)CC(O)(C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-20(2)17-24(28,22-11-7-4-8-12-22)23(27)19-26-15-13-25(14-16-26)18-21-9-5-3-6-10-21/h3-12,20,28H,13-19H2,1-2H3
InChIKeyBXPZZRSJZXTCIG-UHFFFAOYSA-N
XLogP3.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one (CID 10407430) is 1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one is CC(C)CC(O)(C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one?
The InChIKey is BXPZZRSJZXTCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-20(2)17-24(28,22-11-7-4-8-12-22)23(27)19-26-15-13-25(14-16-26)18-21-9-5-3-6-10-21/h3-12,20,28H,13-19H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one?
1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one has a molecular weight of 380.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-hydroxy-5-methyl-3-phenylhexan-2-one is sourced from PubChem (CID 10407430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).