(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone

C19H20FNO2 — CID 110638403

IUPAC(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C19H20FNO2/c20-17-8-4-7-16(12-17)19(22)21-11-5-6-15(13-21)14-23-18-9-2-1-3-10-18/h1-4,7-10,12,15H,5-6,11,13-14H2
InChIKeyXKERDPDYJKASKF-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.76
Rot. Bonds4

About (3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone

(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone (PubChem CID 110638403) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
PubChem CID110638403
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C19H20FNO2/c20-17-8-4-7-16(12-17)19(22)21-11-5-6-15(13-21)14-23-18-9-2-1-3-10-18/h1-4,7-10,12,15H,5-6,11,13-14H2
InChIKeyXKERDPDYJKASKF-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-[3-(hydroxymethyl)phenyl]methanone
CID 95885966
[3-[[1-(2-chloro-5-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846654
(3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42368051
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
4-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900885
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971225
4-[(3S)-3-[[3-(piperidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900771
[3-[[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 92900752
[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 95726991
[3-[[1-(2-methylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50847103

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone (CID 110638403) is (3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCCC(COc2ccccc2)C1.
What is the InChIKey of (3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The InChIKey is XKERDPDYJKASKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-17-8-4-7-16(12-17)19(22)21-11-5-6-15(13-21)14-23-18-9-2-1-3-10-18/h1-4,7-10,12,15H,5-6,11,13-14H2.
What are the key properties of (3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone?
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone has a molecular weight of 313.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110638403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).