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

C20H22FNO2 — CID 46028682

IUPAC1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(OCc2ccccc2F)C1
InChIInChI=1S/C20H22FNO2/c21-19-11-5-4-9-17(19)15-24-18-10-6-12-22(14-18)20(23)13-16-7-2-1-3-8-16/h1-5,7-9,11,18H,6,10,12-15H2
InChIKeyHJOMZQLGMAZMKS-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.58
Rot. Bonds5

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

1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone (PubChem CID 46028682) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
PubChem CID46028682
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(OCc2ccccc2F)C1
InChIInChI=1S/C20H22FNO2/c21-19-11-5-4-9-17(19)15-24-18-10-6-12-22(14-18)20(23)13-16-7-2-1-3-8-16/h1-5,7-9,11,18H,6,10,12-15H2
InChIKeyHJOMZQLGMAZMKS-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 93223160
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone
CID 42844188
1-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 110798668
(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 93223962
(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93224041
1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844104
2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 84755487
1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223488
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone (CID 46028682) is 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCCC(OCc2ccccc2F)C1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
The InChIKey is HJOMZQLGMAZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c21-19-11-5-4-9-17(19)15-24-18-10-6-12-22(14-18)20(23)13-16-7-2-1-3-8-16/h1-5,7-9,11,18H,6,10,12-15H2.
What are the key properties of 1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone has a molecular weight of 327.40 g/mol, XLogP of 3.58, 5 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]-2-phenylethanone is sourced from PubChem (CID 46028682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).