[4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride

C19H20Cl3N3O2 — CID 119281987

IUPAC[4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C19H19Cl2N3O2.ClH/c20-15-5-6-16(17(21)11-15)19(26)24-9-7-23(8-10-24)18(25)14-3-1-13(12-22)2-4-14;/h1-6,11H,7-10,12,22H2;1H
InChIKeyOKOGTFOWCFHYGQ-UHFFFAOYSA-N
MW428.75 g/mol
LogP3.47
Rot. Bonds3

About [4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride

[4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119281987) has the molecular formula C19H20Cl3N3O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119281987
Molecular FormulaC19H20Cl3N3O2
Molecular Weight428.75 g/mol
Exact Mass427.06
IUPAC Name[4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C19H19Cl2N3O2.ClH/c20-15-5-6-16(17(21)11-15)19(26)24-9-7-23(8-10-24)18(25)14-3-1-13(12-22)2-4-14;/h1-6,11H,7-10,12,22H2;1H
InChIKeyOKOGTFOWCFHYGQ-UHFFFAOYSA-N
XLogP3.47
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
[4-(aminomethyl)phenyl]-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119302772
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19295205
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 166355375
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
[4-(aminomethyl)phenyl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119282079
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 2050573
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride (CID 119281987) is [4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride is Cl.NCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is OKOGTFOWCFHYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2.ClH/c20-15-5-6-16(17(21)11-15)19(26)24-9-7-23(8-10-24)18(25)14-3-1-13(12-22)2-4-14;/h1-6,11H,7-10,12,22H2;1H.
What are the key properties of [4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride?
[4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 428.75 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119281987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).