(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C13H17Cl3N2O — CID 119559758

IUPAC(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C13H16Cl2N2O.ClH/c1-16-10-4-6-17(7-5-10)13(18)9-2-3-11(14)12(15)8-9;/h2-3,8,10,16H,4-7H2,1H3;1H
InChIKeyLLKXRUYXDLSDGY-UHFFFAOYSA-N
MW323.65 g/mol
LogP3.24
Rot. Bonds2

About (3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119559758) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119559758
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC Name(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C13H16Cl2N2O.ClH/c1-16-10-4-6-17(7-5-10)13(18)9-2-3-11(14)12(15)8-9;/h2-3,8,10,16H,4-7H2,1H3;1H
InChIKeyLLKXRUYXDLSDGY-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 108563505
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
(3-chloro-4-iodophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 103805114
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551233
(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563275
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119559758) is (3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.Cl.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is LLKXRUYXDLSDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O.ClH/c1-16-10-4-6-17(7-5-10)13(18)9-2-3-11(14)12(15)8-9;/h2-3,8,10,16H,4-7H2,1H3;1H.
What are the key properties of (3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 323.65 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119559758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).