[4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone

C21H25ClN2O2 — CID 44570987

IUPAC[4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)ccc1C(CO)c1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-15-12-17(21(26)24-10-8-23(2)9-11-24)6-7-19(15)20(14-25)16-4-3-5-18(22)13-16/h3-7,12-13,20,25H,8-11,14H2,1-2H3
InChIKeyWYOFDRJSNCFHDU-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.16
Rot. Bonds4

About [4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone

[4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 44570987) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is [4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID44570987
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name[4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)ccc1C(CO)c1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-15-12-17(21(26)24-10-8-23(2)9-11-24)6-7-19(15)20(14-25)16-4-3-5-18(22)13-16/h3-7,12-13,20,25H,8-11,14H2,1-2H3
InChIKeyWYOFDRJSNCFHDU-UHFFFAOYSA-N
XLogP3.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-Chloro-2-fluorobenzoyl)-3-(2-methylbenzyl)piperidin-3-yl]methanol
CID 16188698
[1-(2-Chlorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16191953
N-[2-(3,4-Dichloro-phenyl)-4-(4-hydroxymethyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 44300668
[4-[4-[2-(3-Chlorophenyl)-2-hydroxyethyl]-3-methylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 44571109
1-[4-[2-(3-Chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide
CID 44571111
2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 46890717
2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 46890718
[1-(3-Chlorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16192343
N-[2-(3,4-Dichloro-phenyl)-4-(4-hydroxymethyl-4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 44384147
US11440922, Example 119
CID 137372043
[4-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134799790
4-[(3-Chlorophenyl)methyl]piperazinyl 3-methylphenyl ketone
CID 8623917

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone (CID 44570987) is [4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(C)CC2)ccc1C(CO)c1cccc(Cl)c1.
What is the InChIKey of [4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WYOFDRJSNCFHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15-12-17(21(26)24-10-8-23(2)9-11-24)6-7-19(15)20(14-25)16-4-3-5-18(22)13-16/h3-7,12-13,20,25H,8-11,14H2,1-2H3.
What are the key properties of [4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 372.90 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 44570987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).