[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

C19H21ClN2O2 — CID 967184

IUPAC[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C19H21ClN2O2/c1-14-7-8-15(20)13-17(14)21-9-11-22(12-10-21)19(23)16-5-3-4-6-18(16)24-2/h3-8,13H,9-12H2,1-2H3
InChIKeyLGHKLWHCJKIJEF-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.62
Rot. Bonds3

About [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 967184) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID967184
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C19H21ClN2O2/c1-14-7-8-15(20)13-17(14)21-9-11-22(12-10-21)19(23)16-5-3-4-6-18(16)24-2/h3-8,13H,9-12H2,1-2H3
InChIKeyLGHKLWHCJKIJEF-UHFFFAOYSA-N
XLogP3.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 71822598
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113076848
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 17427851
(4-chloro-2-methoxyphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 71822590
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1-one
CID 15996575
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methylphenyl)methanone
CID 108546198
(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone
CID 113077542
4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539448
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
CID 1019161

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 967184) is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1.
What is the InChIKey of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is LGHKLWHCJKIJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-7-8-15(20)13-17(14)21-9-11-22(12-10-21)19(23)16-5-3-4-6-18(16)24-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 344.84 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 967184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).