(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone

C18H19ClN2O — CID 119472210

IUPAC(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C18H19ClN2O/c1-13-12-20-9-10-21(13)18(22)16-11-15(7-8-17(16)19)14-5-3-2-4-6-14/h2-8,11,13,20H,9-10,12H2,1H3
InChIKeySVLITTDWLUOZAB-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.44
Rot. Bonds2

About (2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone

(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 119472210) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is (2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
PubChem CID119472210
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C18H19ClN2O/c1-13-12-20-9-10-21(13)18(22)16-11-15(7-8-17(16)19)14-5-3-2-4-6-14/h2-8,11,13,20H,9-10,12H2,1H3
InChIKeySVLITTDWLUOZAB-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-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 106502577
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
(3-chloro-2-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755442
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 119472810
1-tert-butyl-3-[4-chloro-3-(2-methylpiperazine-1-carbonyl)phenyl]urea
CID 119470828
(2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119473005
(2-chloro-5-phenylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997706
(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone (CID 119472210) is (2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)c1cc(-c2ccccc2)ccc1Cl.
What is the InChIKey of (2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is SVLITTDWLUOZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-13-12-20-9-10-21(13)18(22)16-11-15(7-8-17(16)19)14-5-3-2-4-6-14/h2-8,11,13,20H,9-10,12H2,1H3.
What are the key properties of (2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone?
(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)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-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119472210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).