(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone

C18H19ClN2O — CID 110602874

IUPAC(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccccc2Cl)CC1c1ccccc1
InChIInChI=1S/C18H19ClN2O/c1-20-11-12-21(13-17(20)14-7-3-2-4-8-14)18(22)15-9-5-6-10-16(15)19/h2-10,17H,11-13H2,1H3
InChIKeyORNAFSLOXVSFBM-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.47
Rot. Bonds2

About (2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone

(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone (PubChem CID 110602874) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
PubChem CID110602874
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccccc2Cl)CC1c1ccccc1
InChIInChI=1S/C18H19ClN2O/c1-20-11-12-21(13-17(20)14-7-3-2-4-8-14)18(22)15-9-5-6-10-16(15)19/h2-10,17H,11-13H2,1H3
InChIKeyORNAFSLOXVSFBM-UHFFFAOYSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
2-[(3S)-4-methyl-3-phenylpiperazine-1-carbonyl]benzonitrile
CID 99994815
(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 125001754
(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 86285379
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 56880850
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110416835
[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[(3S)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 99932198
[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124989714
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 110098379

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone (CID 110602874) is (2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccccc2Cl)CC1c1ccccc1.
What is the InChIKey of (2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone?
The InChIKey is ORNAFSLOXVSFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-20-11-12-21(13-17(20)14-7-3-2-4-8-14)18(22)15-9-5-6-10-16(15)19/h2-10,17H,11-13H2,1H3.
What are the key properties of (2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone?
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone has a molecular weight of 314.82 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110602874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).