1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone

C14H17Cl2NO — CID 5218417

IUPAC1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyAPIRRWANGJCETR-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.91
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone

1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 5218417) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID5218417
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyAPIRRWANGJCETR-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propanone, 1-(4-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200370
2-(Tert-butylamino)-1-(3,4-dichlorophenyl)butan-1-one
CID 44542809
2-(Tert-butylamino)-1-(3,4-dichlorophenyl)pentan-1-one
CID 44543273
1-(3-Chlorophenyl)-2-(dimethylamino)propan-1-one
CID 43794735
4-Chloro-alpha-PVP
CID 69245309
1-(3-Chlorophenyl)-2-(piperidin-1-yl)propan-1-one
CID 43227131
1-(3,4-Dichlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone
CID 45487890
(3,4-Dichlorophenyl)(2-propylpyrrolidin-2-yl)methanone
CID 49865822
1-[4-(4-Chlorobenzoyl)piperidin-1-yl]ethanone
CID 544682
2-(Tert-butyl(methyl)amino)-1-(3-chlorophenyl)propan-1-one
CID 20695745
1-Propanone, 1-(4-chlorophenyl)-3-(1-piperidinyl)-, hydrochloride
CID 199915
4'-Chloro-alpha-pyrrolidinopropiophenone
CID 43227582

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone (CID 5218417) is 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is APIRRWANGJCETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone?
1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 286.20 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 5218417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).