1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone

C19H21ClN2O — CID 70247357

IUPAC1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1cc(Cl)ccc1C(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O/c1-15-13-16(20)7-8-18(15)19(23)14-21-9-11-22(12-10-21)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3
InChIKeyARJHWNXQYQWSGP-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.65
Rot. Bonds4

About 1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone

1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 70247357) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
PubChem CID70247357
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1cc(Cl)ccc1C(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O/c1-15-13-16(20)7-8-18(15)19(23)14-21-9-11-22(12-10-21)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3
InChIKeyARJHWNXQYQWSGP-UHFFFAOYSA-N
XLogP3.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 110654229
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone
CID 72720536
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 4120374
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone (CID 70247357) is 1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone is Cc1cc(Cl)ccc1C(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is ARJHWNXQYQWSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-15-13-16(20)7-8-18(15)19(23)14-21-9-11-22(12-10-21)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone?
1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 328.84 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 70247357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).