1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one

C16H23ClN2O — CID 120802410

IUPAC1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-3-5-12(2)16(20)19-9-8-18-11-15(19)13-6-4-7-14(17)10-13/h4,6-7,10,12,15,18H,3,5,8-9,11H2,1-2H3
InChIKeyTYQQYFIBCAPBAO-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.25
Rot. Bonds4

About 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one (PubChem CID 120802410) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
PubChem CID120802410
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-3-5-12(2)16(20)19-9-8-18-11-15(19)13-6-4-7-14(17)10-13/h4,6-7,10,12,15,18H,3,5,8-9,11H2,1-2H3
InChIKeyTYQQYFIBCAPBAO-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 120803481
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 120738310
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
CID 120802542
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-propylsulfonylethanone
CID 120801882
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 120802086
N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 120801926
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120803381
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 120802085
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120802257

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one (CID 120802410) is 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one is CCCC(C)C(=O)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one?
The InChIKey is TYQQYFIBCAPBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-5-12(2)16(20)19-9-8-18-11-15(19)13-6-4-7-14(17)10-13/h4,6-7,10,12,15,18H,3,5,8-9,11H2,1-2H3.
What are the key properties of 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one?
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one has a molecular weight of 294.83 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 120802410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).