1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone

C14H17F2NO — CID 63846321

IUPAC1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H17F2NO/c1-10(18)11-4-6-17(7-5-11)9-12-8-13(15)2-3-14(12)16/h2-3,8,11H,4-7,9H2,1H3
InChIKeySZOYFNPAOZJVKS-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.77
Rot. Bonds3

About 1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone

1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone (PubChem CID 63846321) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
PubChem CID63846321
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H17F2NO/c1-10(18)11-4-6-17(7-5-11)9-12-8-13(15)2-3-14(12)16/h2-3,8,11H,4-7,9H2,1H3
InChIKeySZOYFNPAOZJVKS-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
methyl 1-[(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730829
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
CID 172900865
N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593627
(6S)-1-[(2,5-difluorophenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 125003893
1-[1-[(2,5-difluorophenyl)methyl]azepan-2-yl]propan-2-one
CID 79559683
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83986150
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 43576079
3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine
CID 63386784

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone (CID 63846321) is 1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone is CC(=O)C1CCN(Cc2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone?
The InChIKey is SZOYFNPAOZJVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-10(18)11-4-6-17(7-5-11)9-12-8-13(15)2-3-14(12)16/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone?
1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone has a molecular weight of 253.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 63846321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).