(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone

C18H19ClN2O — CID 807436

IUPAC(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C18H19ClN2O/c1-14-7-8-15(13-17(14)19)18(22)21-11-9-20(10-12-21)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3
InChIKeyBKPPHQYOGHEJKC-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.61
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone

(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 807436) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID807436
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C18H19ClN2O/c1-14-7-8-15(13-17(14)19)18(22)21-11-9-20(10-12-21)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3
InChIKeyBKPPHQYOGHEJKC-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-(3-chloro-4-methylbenzoyl)piperazin-1-yl]phenyl]-methyl-oxoazanium
CID 90160960
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1070097
(3-methyl-4-nitrophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1121255
(3-bromophenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone
CID 113076847
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 16644825
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
3-chloro-N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 4238469
2-(2,5-dimethylpyrrol-1-yl)-4-(4-phenylpiperazine-1-carbonyl)benzoic acid
CID 118443962

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 807436) is (3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is BKPPHQYOGHEJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-14-7-8-15(13-17(14)19)18(22)21-11-9-20(10-12-21)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone?
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 314.82 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 807436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).