[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone

C18H19ClN2O — CID 120801994

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O/c1-13-5-2-3-8-16(13)18(22)21-10-9-20-12-17(21)14-6-4-7-15(19)11-14/h2-8,11,17,20H,9-10,12H2,1H3
InChIKeyQOOZTAVERTVSFC-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.44
Rot. Bonds2

About [2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone

[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 120801994) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID120801994
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O/c1-13-5-2-3-8-16(13)18(22)21-10-9-20-12-17(21)14-6-4-7-15(19)11-14/h2-8,11,17,20H,9-10,12H2,1H3
InChIKeyQOOZTAVERTVSFC-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone;hydrochloride
CID 120801969
1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 120802754
[2-(3-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 120802318
[2-(3-chlorophenyl)piperazin-1-yl]-[2-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 120802047
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 120802342
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120802549
[2-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120801878
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 120801994) is [2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is QOOZTAVERTVSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-13-5-2-3-8-16(13)18(22)21-10-9-20-12-17(21)14-6-4-7-15(19)11-14/h2-8,11,17,20H,9-10,12H2,1H3.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 314.82 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 120801994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).