1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride

C16H24Cl2N2O — CID 120802381

IUPAC1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
SMILESCC(C)CCC(=O)N1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-12(2)6-7-16(20)19-9-8-18-11-15(19)13-4-3-5-14(17)10-13;/h3-5,10,12,15,18H,6-9,11H2,1-2H3;1H
InChIKeyPIRGIPWIOMARCI-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.67
Rot. Bonds4

About 1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride

1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride (PubChem CID 120802381) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
PubChem CID120802381
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
SMILESCC(C)CCC(=O)N1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-12(2)6-7-16(20)19-9-8-18-11-15(19)13-4-3-5-14(17)10-13;/h3-5,10,12,15,18H,6-9,11H2,1-2H3;1H
InChIKeyPIRGIPWIOMARCI-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
5-[2-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120801869
4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120802257
3-(1-acetylpiperidin-4-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120803200
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 120802410
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 120803481
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120802984
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 120802359
2-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione;hydrochloride
CID 120802401
[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride
CID 120803550
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride?
The IUPAC name of 1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride (CID 120802381) is 1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride is CC(C)CCC(=O)N1CCNCC1c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride?
The InChIKey is PIRGIPWIOMARCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-12(2)6-7-16(20)19-9-8-18-11-15(19)13-4-3-5-14(17)10-13;/h3-5,10,12,15,18H,6-9,11H2,1-2H3;1H.
What are the key properties of 1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride?
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.67, 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]-4-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 120802381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).