2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone

C16H24N2O — CID 82132922

IUPAC2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
SMILESCC(C)Cc1ccc(CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H24N2O/c1-13(2)11-14-3-5-15(6-4-14)12-16(19)18-9-7-17-8-10-18/h3-6,13,17H,7-12H2,1-2H3
InChIKeyVZSDVXGSYRCPLN-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.86
Rot. Bonds4

About 2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone

2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone (PubChem CID 82132922) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
PubChem CID82132922
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
SMILESCC(C)Cc1ccc(CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H24N2O/c1-13(2)11-14-3-5-15(6-4-14)12-16(19)18-9-7-17-8-10-18/h3-6,13,17H,7-12H2,1-2H3
InChIKeyVZSDVXGSYRCPLN-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one
CID 95477399
1-(1,4-diazepan-1-yl)-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione;hydrochloride
CID 119416709
1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
CID 51218966
N-ethyl-4-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50775995
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 120659592
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589
4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83931157
N-[(2-chlorophenyl)methyl]-4-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934330
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119646554
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
1-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815070
2-(4-bromophenyl)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416494

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone (CID 82132922) is 2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone is CC(C)Cc1ccc(CC(=O)N2CCNCC2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone?
The InChIKey is VZSDVXGSYRCPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)11-14-3-5-15(6-4-14)12-16(19)18-9-7-17-8-10-18/h3-6,13,17H,7-12H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone?
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone has a molecular weight of 260.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 82132922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).