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

C16H22Cl2N2O — CID 14810949

IUPAC2-(3,4-dichlorophenyl)-1-[2-[(dimethylamino)methyl]piperidin-1-yl]ethanone
SMILESCN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-19(2)11-13-5-3-4-8-20(13)16(21)10-12-6-7-14(17)15(18)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3
InChIKeyPROCBUWEYFCOPD-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.48
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-1-[2-[(dimethylamino)methyl]piperidin-1-yl]ethanone (PubChem CID 14810949) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[2-[(dimethylamino)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[2-[(dimethylamino)methyl]piperidin-1-yl]ethanone
PubChem CID14810949
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name2-(3,4-dichlorophenyl)-1-[2-[(dimethylamino)methyl]piperidin-1-yl]ethanone
SMILESCN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-19(2)11-13-5-3-4-8-20(13)16(21)10-12-6-7-14(17)15(18)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3
InChIKeyPROCBUWEYFCOPD-UHFFFAOYSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.48
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-[(dimethylamino)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-[(dimethylamino)methyl]piperidin-1-yl]ethanone (CID 14810949) is 2-(3,4-dichlorophenyl)-1-[2-[(dimethylamino)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[2-[(dimethylamino)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[2-[(dimethylamino)methyl]piperidin-1-yl]ethanone is CN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[2-[(dimethylamino)methyl]piperidin-1-yl]ethanone?
The InChIKey is PROCBUWEYFCOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-19(2)11-13-5-3-4-8-20(13)16(21)10-12-6-7-14(17)15(18)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[2-[(dimethylamino)methyl]piperidin-1-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[2-[(dimethylamino)methyl]piperidin-1-yl]ethanone has a molecular weight of 329.27 g/mol, XLogP of 3.48, 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-[(dimethylamino)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 14810949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).