[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone

C20H21F2NO2 — CID 56872892

IUPAC[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C20H21F2NO2/c21-18-7-2-8-19(22)17(18)10-9-14-4-3-11-23(13-14)20(25)15-5-1-6-16(24)12-15/h1-2,5-8,12,14,24H,3-4,9-11,13H2
InChIKeyAPJWRSZXGMXRFI-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.16
Rot. Bonds4

About [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone

[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone (PubChem CID 56872892) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
PubChem CID56872892
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C20H21F2NO2/c21-18-7-2-8-19(22)17(18)10-9-14-4-3-11-23(13-14)20(25)15-5-1-6-16(24)12-15/h1-2,5-8,12,14,24H,3-4,9-11,13H2
InChIKeyAPJWRSZXGMXRFI-UHFFFAOYSA-N
XLogP4.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 63766901
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42395196
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56919166
2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95548860
2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 25452784
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 45237227
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 42558084
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 25299156
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 26318399
3-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95559981

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone (CID 56872892) is [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone is O=C(c1cccc(O)c1)N1CCCC(CCc2c(F)cccc2F)C1.
What is the InChIKey of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is APJWRSZXGMXRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c21-18-7-2-8-19(22)17(18)10-9-14-4-3-11-23(13-14)20(25)15-5-1-6-16(24)12-15/h1-2,5-8,12,14,24H,3-4,9-11,13H2.
What are the key properties of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone?
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 345.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 56872892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).