[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone

C20H23ClN2O — CID 19294945

IUPAC[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H23ClN2O/c1-2-16-7-9-17(10-8-16)20(24)23-13-11-22(12-14-23)15-18-5-3-4-6-19(18)21/h3-10H,2,11-15H2,1H3
InChIKeyMFWTXANFOHDHAB-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.86
Rot. Bonds4

About [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone

[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone (PubChem CID 19294945) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
PubChem CID19294945
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H23ClN2O/c1-2-16-7-9-17(10-8-16)20(24)23-13-11-22(12-14-23)15-18-5-3-4-6-19(18)21/h3-10H,2,11-15H2,1H3
InChIKeyMFWTXANFOHDHAB-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 86923546
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 997989
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]methanone
CID 19294925
(4-ethylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55433059
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[3-[(4-ethoxyphenoxy)methyl]phenyl]methanone
CID 19294869
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
ethyl 4-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoate
CID 19574505
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 119306674
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 764804

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone (CID 19294945) is [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone?
The InChIKey is MFWTXANFOHDHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-2-16-7-9-17(10-8-16)20(24)23-13-11-22(12-14-23)15-18-5-3-4-6-19(18)21/h3-10H,2,11-15H2,1H3.
What are the key properties of [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone?
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone has a molecular weight of 342.87 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 19294945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).