(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone

C19H21ClN2O2 — CID 113077542

IUPAC(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C)cc1N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN2O2/c1-14-7-8-18(24-2)17(13-14)21-9-11-22(12-10-21)19(23)15-5-3-4-6-16(15)20/h3-8,13H,9-12H2,1-2H3
InChIKeyVURACFTYLOBJQH-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.62
Rot. Bonds3

About (2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone

(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone (PubChem CID 113077542) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone
PubChem CID113077542
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C)cc1N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN2O2/c1-14-7-8-18(24-2)17(13-14)21-9-11-22(12-10-21)19(23)15-5-3-4-6-16(15)20/h3-8,13H,9-12H2,1-2H3
InChIKeyVURACFTYLOBJQH-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

[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 113077108
(5-chloro-2-methoxyphenyl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 71822598
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113077553
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 110802816
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 967184
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113076848
[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113077801
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113080152
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31363177

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone (CID 113077542) is (2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone is COc1ccc(C)cc1N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is VURACFTYLOBJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-7-8-18(24-2)17(13-14)21-9-11-22(12-10-21)19(23)15-5-3-4-6-16(15)20/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]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 (2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113077542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).