[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride

C19H20Cl4N2O — CID 21275301

IUPAC[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride
SMILESCl.O=C(c1cc(Cl)cc(Cl)c1)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19Cl3N2O.ClH/c20-16-3-1-14(2-4-16)5-6-23-7-9-24(10-8-23)19(25)15-11-17(21)13-18(22)12-15;/h1-4,11-13H,5-10H2;1H
InChIKeyKXWWYAFKHCUIMC-UHFFFAOYSA-N
MW434.19 g/mol
LogP5.07
Rot. Bonds4

About [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride

[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride (PubChem CID 21275301) has the molecular formula C19H20Cl4N2O and a molecular weight of 434.19 g/mol. Its IUPAC name is [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride
PubChem CID21275301
Molecular FormulaC19H20Cl4N2O
Molecular Weight434.19 g/mol
Exact Mass432.03
IUPAC Name[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride
SMILESCl.O=C(c1cc(Cl)cc(Cl)c1)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19Cl3N2O.ClH/c20-16-3-1-14(2-4-16)5-6-23-7-9-24(10-8-23)19(25)15-11-17(21)13-18(22)12-15;/h1-4,11-13H,5-10H2;1H
InChIKeyKXWWYAFKHCUIMC-UHFFFAOYSA-N
XLogP5.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.19
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 134120763
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
(4-aminophenyl)-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 18946357
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride
CID 21275355
N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
CID 110359222
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113074562
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
CID 21275288
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 55556424
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 67912324
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide
CID 19099498
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone
CID 113074560

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride?
The IUPAC name of [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride (CID 21275301) is [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride.
What is the SMILES notation for [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride?
The canonical SMILES for [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride is Cl.O=C(c1cc(Cl)cc(Cl)c1)N1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride?
The InChIKey is KXWWYAFKHCUIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O.ClH/c20-16-3-1-14(2-4-16)5-6-23-7-9-24(10-8-23)19(25)15-11-17(21)13-18(22)12-15;/h1-4,11-13H,5-10H2;1H.
What are the key properties of [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride?
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride has a molecular weight of 434.19 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride is sourced from PubChem (CID 21275301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).