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

C15H19Cl2NO2 — CID 107393620

IUPAC1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCOC1(C)CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2NO2/c1-15(20-2)6-3-7-18(10-15)9-14(19)11-4-5-12(16)13(17)8-11/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyIPBYAVUCTPNRLO-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.68
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 107393620) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
PubChem CID107393620
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCOC1(C)CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2NO2/c1-15(20-2)6-3-7-18(10-15)9-14(19)11-4-5-12(16)13(17)8-11/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyIPBYAVUCTPNRLO-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-3-methylpiperidin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 107393652
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 107393386
1-(3,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223621
1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393674
5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine
CID 107394965
4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64693041
1-(3-chloro-4-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82052906
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one
CID 107393650
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
1-(3,4-difluorophenyl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405385

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone (CID 107393620) is 1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone is COC1(C)CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is IPBYAVUCTPNRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-15(20-2)6-3-7-18(10-15)9-14(19)11-4-5-12(16)13(17)8-11/h4-5,8H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 316.23 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107393620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).