1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone

C14H17F2NO2 — CID 122138939

IUPAC1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCC(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H17F2NO2/c15-12-2-1-11(8-13(12)16)7-10-3-5-17(6-4-10)14(19)9-18/h1-2,8,10,18H,3-7,9H2
InChIKeyFYVNMZVTQUXIBY-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.74
Rot. Bonds3

About 1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone

1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 122138939) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone
PubChem CID122138939
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCC(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H17F2NO2/c15-12-2-1-11(8-13(12)16)7-10-3-5-17(6-4-10)14(19)9-18/h1-2,8,10,18H,3-7,9H2
InChIKeyFYVNMZVTQUXIBY-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122065991
trans-(1R,2R)-2-[3-[(3,4-difluorophenyl)methyl]pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166239722
4-[(4-bromo-3-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 67000077
4-(cyclobutylmethyl)-1,2-difluorobenzene
CID 58414524
2-chloro-1-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]ethanone
CID 166404020
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 124517329
[3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 122139592
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
1-(4-benzylpiperidin-1-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778179
4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid
CID 118164700
1-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 140911761

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone (CID 122138939) is 1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone is O=C(CO)N1CCC(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is FYVNMZVTQUXIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-12-2-1-11(8-13(12)16)7-10-3-5-17(6-4-10)14(19)9-18/h1-2,8,10,18H,3-7,9H2.
What are the key properties of 1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone?
1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 269.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 122138939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).