2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone

C17H24Cl2N2O — CID 14810989

IUPAC2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone
SMILESCC(C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C
InChIInChI=1S/C17H24Cl2N2O/c1-12(20(2)3)16-6-4-5-9-21(16)17(22)11-13-7-8-14(18)15(19)10-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3
InChIKeyMJVPVUAVZUCLJO-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.87
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone

2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone (PubChem CID 14810989) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone
PubChem CID14810989
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone
SMILESCC(C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C
InChIInChI=1S/C17H24Cl2N2O/c1-12(20(2)3)16-6-4-5-9-21(16)17(22)11-13-7-8-14(18)15(19)10-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3
InChIKeyMJVPVUAVZUCLJO-UHFFFAOYSA-N
XLogP3.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

U-47700
CID 71719125
rel-3,4-Dichloro-N-methyl-N-((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 3036289
3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 5619
4-((3,4-Dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid methyl ester
CID 3505
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
(+/-)-trans-U-50488 methanesulfonate salt
CID 135349
1-Piperazinecarboxylic acid, 4-(2-(3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-, methyl ester, (2E)-2-butenedioate (1:1)
CID 6442840
GR-103545
CID 6603856
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide
CID 6604724
GR 94839
CID 131626
Lpk-26
CID 10043746
2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;methanesulfonic acid
CID 9912313

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone (CID 14810989) is 2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone is CC(C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone?
The InChIKey is MJVPVUAVZUCLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c1-12(20(2)3)16-6-4-5-9-21(16)17(22)11-13-7-8-14(18)15(19)10-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone has a molecular weight of 343.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 14810989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).