1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one

C15H19ClFNO2 — CID 146652443

IUPAC1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cc(F)c(Cl)c(OC)c2)CC1
InChIInChI=1S/C15H19ClFNO2/c1-3-14(19)18-6-4-10(5-7-18)11-8-12(17)15(16)13(9-11)20-2/h8-10H,3-7H2,1-2H3
InChIKeyNJMCBZLDVOAPEB-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.60
Rot. Bonds3

About 1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one

1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one (PubChem CID 146652443) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one
PubChem CID146652443
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cc(F)c(Cl)c(OC)c2)CC1
InChIInChI=1S/C15H19ClFNO2/c1-3-14(19)18-6-4-10(5-7-18)11-8-12(17)15(16)13(9-11)20-2/h8-10H,3-7H2,1-2H3
InChIKeyNJMCBZLDVOAPEB-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one
CID 146652433
ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol
CID 143502107
1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 155484090
5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 139529999
3-[3-[4-(3-chloro-4-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-3-methylpyrrolidine-2,5-dione
CID 153204130
2-chloro-1-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanone
CID 166403888
1-[4-[(3-fluoro-4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]propan-1-one
CID 71927531
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 134478036
5-bromo-2-chloro-1,3-dimethoxybenzene;tert-butyl 4-(4-chloro-3,5-dimethoxyphenyl)piperidine-1-carboxylate;tert-butyl piperidin-4-ide-1-carboxylate;iodozinc(1+);methane
CID 159576381
2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110767238
methyl 2,6-difluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]benzoate
CID 170757806

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one (CID 146652443) is 1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2cc(F)c(Cl)c(OC)c2)CC1.
What is the InChIKey of 1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one?
The InChIKey is NJMCBZLDVOAPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-3-14(19)18-6-4-10(5-7-18)11-8-12(17)15(16)13(9-11)20-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one?
1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one has a molecular weight of 299.77 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 146652443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).