1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one

C15H21ClN2O — CID 120739628

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O/c1-3-11(2)15(19)18-9-8-17-10-14(18)12-6-4-5-7-13(12)16/h4-7,11,14,17H,3,8-10H2,1-2H3
InChIKeyVICZRZKPVHRBMV-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.86
Rot. Bonds3

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one (PubChem CID 120739628) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one
PubChem CID120739628
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O/c1-3-11(2)15(19)18-9-8-17-10-14(18)12-6-4-5-7-13(12)16/h4-7,11,14,17H,3,8-10H2,1-2H3
InChIKeyVICZRZKPVHRBMV-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 120738310
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120738432
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 120738169
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one
CID 120738181
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120738127
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylpropylsulfonyl)ethanone
CID 120739842
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide
CID 120738630
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one (CID 120739628) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one?
The InChIKey is VICZRZKPVHRBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-11(2)15(19)18-9-8-17-10-14(18)12-6-4-5-7-13(12)16/h4-7,11,14,17H,3,8-10H2,1-2H3.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one has a molecular weight of 280.80 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 120739628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).