(4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone

C12H15ClN2O — CID 116919681

IUPAC(4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone
SMILESCN1CCNCC1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O/c1-15-7-6-14-8-11(15)12(16)9-2-4-10(13)5-3-9/h2-5,11,14H,6-8H2,1H3
InChIKeyXYKRVGIDEYEZLO-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.43
Rot. Bonds2

About (4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone

(4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone (PubChem CID 116919681) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone
PubChem CID116919681
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name(4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone
SMILESCN1CCNCC1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O/c1-15-7-6-14-8-11(15)12(16)9-2-4-10(13)5-3-9/h2-5,11,14H,6-8H2,1H3
InChIKeyXYKRVGIDEYEZLO-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919674
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone
CID 116919723
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919749
1,3-benzoxazol-6-yl-(1-methylpiperazin-2-yl)methanone
CID 116919736
(4-chlorophenyl)-[1-(2,6-diaminopyrimidin-4-yl)piperazin-2-yl]methanone
CID 66759004
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919686
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
methyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 66877095
(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride
CID 174377546
ethane;1-(1-methylpiperazin-2-yl)ethanone
CID 142036342
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
1-methyl-N-pyridin-4-ylpiperazine-2-carboxamide
CID 115177729

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone (CID 116919681) is (4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone is CN1CCNCC1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone?
The InChIKey is XYKRVGIDEYEZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-15-7-6-14-8-11(15)12(16)9-2-4-10(13)5-3-9/h2-5,11,14H,6-8H2,1H3.
What are the key properties of (4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone?
(4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone has a molecular weight of 238.72 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 116919681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).