1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone

C14H18FNO2 — CID 42656380

IUPAC1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(OCc2ccccc2F)C1
InChIInChI=1S/C14H18FNO2/c1-11(17)16-8-4-6-13(9-16)18-10-12-5-2-3-7-14(12)15/h2-3,5,7,13H,4,6,8-10H2,1H3
InChIKeyNDWVHNLYQCUQIA-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.35
Rot. Bonds3

About 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone

1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone (PubChem CID 42656380) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
PubChem CID42656380
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(OCc2ccccc2F)C1
InChIInChI=1S/C14H18FNO2/c1-11(17)16-8-4-6-13(9-16)18-10-12-5-2-3-7-14(12)15/h2-3,5,7,13H,4,6,8-10H2,1H3
InChIKeyNDWVHNLYQCUQIA-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 93223160
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 93223962
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844104
(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93224041
1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97189789
1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223488
(5R)-1-ethyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one
CID 97143515
3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 46029181
(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844111

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone (CID 42656380) is 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone is CC(=O)N1CCCC(OCc2ccccc2F)C1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone?
The InChIKey is NDWVHNLYQCUQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11(17)16-8-4-6-13(9-16)18-10-12-5-2-3-7-14(12)15/h2-3,5,7,13H,4,6,8-10H2,1H3.
What are the key properties of 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone?
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone has a molecular weight of 251.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 42656380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).