2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride

C15H21Cl3N2O — CID 71727884

IUPAC2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C)C(=O)C(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-19(2)15(20)14(10-5-7-18-8-6-10)11-3-4-12(16)13(17)9-11;/h3-4,9-10,14,18H,5-8H2,1-2H3;1H
InChIKeyBFTWIVLBFPURGJ-UHFFFAOYSA-N
MW351.71 g/mol
LogP3.59
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride

2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride (PubChem CID 71727884) has the molecular formula C15H21Cl3N2O and a molecular weight of 351.71 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride
PubChem CID71727884
Molecular FormulaC15H21Cl3N2O
Molecular Weight351.71 g/mol
Exact Mass350.07
IUPAC Name2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C)C(=O)C(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-19(2)15(20)14(10-5-7-18-8-6-10)11-3-4-12(16)13(17)9-11;/h3-4,9-10,14,18H,5-8H2,1-2H3;1H
InChIKeyBFTWIVLBFPURGJ-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine
CID 112563633
2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone
CID 90708161
N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 140562387
N-[1-(3,4-dichlorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119686006
1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride
CID 71239032
(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol
CID 82341457
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
N,N-dimethyl-2-piperidin-4-ylpropanamide
CID 138986425
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea
CID 79720369
(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
CID 71515954

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride (CID 71727884) is 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride is CN(C)C(=O)C(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is BFTWIVLBFPURGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O.ClH/c1-19(2)15(20)14(10-5-7-18-8-6-10)11-3-4-12(16)13(17)9-11;/h3-4,9-10,14,18H,5-8H2,1-2H3;1H.
What are the key properties of 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride?
2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 351.71 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 71727884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).