1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one

C16H24N2O2 — CID 82265840

IUPAC1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C)c1cc(C(=O)C(C)N2CCNCC2)ccc1O
InChIInChI=1S/C16H24N2O2/c1-11(2)14-10-13(4-5-15(14)19)16(20)12(3)18-8-6-17-7-9-18/h4-5,10-12,17,19H,6-9H2,1-3H3
InChIKeyMTQUPNCCTWFCHB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.99
Rot. Bonds4

About 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one

1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one (PubChem CID 82265840) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
PubChem CID82265840
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C)c1cc(C(=O)C(C)N2CCNCC2)ccc1O
InChIInChI=1S/C16H24N2O2/c1-11(2)14-10-13(4-5-15(14)19)16(20)12(3)18-8-6-17-7-9-18/h4-5,10-12,17,19H,6-9H2,1-3H3
InChIKeyMTQUPNCCTWFCHB-UHFFFAOYSA-N
XLogP1.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264084
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
CID 116924119
1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone
CID 82265834
1-(4-bromo-3-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264459
1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one
CID 83559257
2-(1,4-diazepan-1-yl)-1-(1-methylpyrrol-3-yl)propan-1-one
CID 82291374
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82267292
4-methyl-2-[(1S)-1-piperazin-1-ylethyl]phenol
CID 93464487
1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82267459
1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82263325

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one (CID 82265840) is 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one is CC(C)c1cc(C(=O)C(C)N2CCNCC2)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is MTQUPNCCTWFCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)14-10-13(4-5-15(14)19)16(20)12(3)18-8-6-17-7-9-18/h4-5,10-12,17,19H,6-9H2,1-3H3.
What are the key properties of 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one?
1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82265840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).