(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride

C12H15Cl3N2O — CID 119376590

IUPAC(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H14Cl2N2O.ClH/c13-8-1-2-10(11(14)7-8)12(17)16-5-3-9(15)4-6-16;/h1-2,7,9H,3-6,15H2;1H
InChIKeyPJAHTWCVCGUGFH-UHFFFAOYSA-N
MW309.62 g/mol
LogP2.98
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride (PubChem CID 119376590) has the molecular formula C12H15Cl3N2O and a molecular weight of 309.62 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
PubChem CID119376590
Molecular FormulaC12H15Cl3N2O
Molecular Weight309.62 g/mol
Exact Mass308.02
IUPAC Name(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H14Cl2N2O.ClH/c13-8-1-2-10(11(14)7-8)12(17)16-5-3-9(15)4-6-16;/h1-2,7,9H,3-6,15H2;1H
InChIKeyPJAHTWCVCGUGFH-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride 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

(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone
CID 110464956
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119374876
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride (CID 119376590) is (4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride is Cl.NC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride?
The InChIKey is PJAHTWCVCGUGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O.ClH/c13-8-1-2-10(11(14)7-8)12(17)16-5-3-9(15)4-6-16;/h1-2,7,9H,3-6,15H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride has a molecular weight of 309.62 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119376590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).