1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one

C15H19Cl2NO — CID 82050124

IUPAC1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(CCC(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H19Cl2NO/c1-11-3-2-7-18(10-11)8-6-15(19)13-9-12(16)4-5-14(13)17/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyLTJJMVGDBYAUGM-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.30
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one

1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 82050124) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID82050124
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(CCC(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H19Cl2NO/c1-11-3-2-7-18(10-11)8-6-15(19)13-9-12(16)4-5-14(13)17/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyLTJJMVGDBYAUGM-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82051122
1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid
CID 82073050
N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944
1-(2,5-dichlorobenzoyl)-N-[3-(3-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 55721754
1-[3-(5-chloro-2-ethoxyphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073151
1-(2-chloro-5-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050177
1-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethyl]-3-methylpiperidine;oxalic acid
CID 2935988
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 82051046
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984720
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one (CID 82050124) is 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one is CC1CCCN(CCC(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is LTJJMVGDBYAUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-11-3-2-7-18(10-11)8-6-15(19)13-9-12(16)4-5-14(13)17/h4-5,9,11H,2-3,6-8,10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 300.23 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 82050124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).