1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one

C14H17F2NO2 — CID 175304138

IUPAC1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1c(F)cc(N2CCCC(O)C2)cc1F
InChIInChI=1S/C14H17F2NO2/c1-9(18)5-12-13(15)6-10(7-14(12)16)17-4-2-3-11(19)8-17/h6-7,11,19H,2-5,8H2,1H3
InChIKeyYMRMUHLDZPZSDJ-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.06
Rot. Bonds3

About 1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one

1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one (PubChem CID 175304138) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one
PubChem CID175304138
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1c(F)cc(N2CCCC(O)C2)cc1F
InChIInChI=1S/C14H17F2NO2/c1-9(18)5-12-13(15)6-10(7-14(12)16)17-4-2-3-11(19)8-17/h6-7,11,19H,2-5,8H2,1H3
InChIKeyYMRMUHLDZPZSDJ-UHFFFAOYSA-N
XLogP2.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
CID 94373368
1-(4-amino-2,6-difluorophenyl)piperidin-3-ol
CID 61016678
1-(3-methyl-5-nitrophenyl)piperidin-3-ol
CID 112649599
1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol
CID 123879293
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol
CID 61434288
1-(1,3-benzodioxol-5-yl)piperidin-3-ol
CID 117012804
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one?
The IUPAC name of 1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one (CID 175304138) is 1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one is CC(=O)Cc1c(F)cc(N2CCCC(O)C2)cc1F.
What is the InChIKey of 1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one?
The InChIKey is YMRMUHLDZPZSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-9(18)5-12-13(15)6-10(7-14(12)16)17-4-2-3-11(19)8-17/h6-7,11,19H,2-5,8H2,1H3.
What are the key properties of 1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one?
1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one has a molecular weight of 269.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-difluoro-4-(3-hydroxypiperidin-1-yl)phenyl]propan-2-one is sourced from PubChem (CID 175304138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).