2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride

C14H20Cl2N2O — CID 119473180

IUPAC2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC(C(=O)N1CCNCC1C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-10-9-16-6-7-17(10)14(18)11(2)12-4-3-5-13(15)8-12;/h3-5,8,10-11,16H,6-7,9H2,1-2H3;1H
InChIKeyBBWVXTLQGSZMKS-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.69
Rot. Bonds2

About 2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride

2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 119473180) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID119473180
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC(C(=O)N1CCNCC1C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-10-9-16-6-7-17(10)14(18)11(2)12-4-3-5-13(15)8-12;/h3-5,8,10-11,16H,6-7,9H2,1-2H3;1H
InChIKeyBBWVXTLQGSZMKS-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 120802085
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 120802086
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120803381
2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470836
2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119473115
3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119473217
2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735900
2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471792
1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 62673993
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride (CID 119473180) is 2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride is CC(C(=O)N1CCNCC1C)c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is BBWVXTLQGSZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O.ClH/c1-10-9-16-6-7-17(10)14(18)11(2)12-4-3-5-13(15)8-12;/h3-5,8,10-11,16H,6-7,9H2,1-2H3;1H.
What are the key properties of 2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride?
2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 303.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119473180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).