[3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone

C19H20FNO — CID 702752

IUPAC[3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone
SMILESC[C@H]1CCCCN1c1ccc(C(=O)c2ccccc2)cc1F
InChIInChI=1S/C19H20FNO/c1-14-7-5-6-12-21(14)18-11-10-16(13-17(18)20)19(22)15-8-3-2-4-9-15/h2-4,8-11,13-14H,5-7,12H2,1H3/t14-/m0/s1
InChIKeyUHQWVSBXCQWALF-AWEZNQCLSA-N
MW297.37 g/mol
LogP4.44
Rot. Bonds3

About [3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone

[3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone (PubChem CID 702752) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is [3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone
PubChem CID702752
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name[3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone
SMILESC[C@H]1CCCCN1c1ccc(C(=O)c2ccccc2)cc1F
InChIInChI=1S/C19H20FNO/c1-14-7-5-6-12-21(14)18-11-10-16(13-17(18)20)19(22)15-8-3-2-4-9-15/h2-4,8-11,13-14H,5-7,12H2,1H3/t14-/m0/s1
InChIKeyUHQWVSBXCQWALF-AWEZNQCLSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide
CID 43658120
4-[(2S)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)benzoic acid;4-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)benzoic acid
CID 87122189
3-fluoro-4-(2-methylpiperidin-1-yl)benzaldehyde
CID 43200239
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
4-[(2S)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)benzoic acid;4-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)benzoic acid;4-phenylbenzoic acid
CID 87394973
[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-phenylmethanone
CID 5070114
2,3-difluoro-4-(2-methylazepan-1-yl)benzoic acid
CID 107935752
1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656956
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
3-bromo-4-(2-methylpiperidin-1-yl)benzamide
CID 169336360
1-[4-(2-ethylazepan-1-yl)-3-fluorophenyl]ethanone
CID 104690171
3-(methanesulfonamido)-4-(2-methylpiperidin-1-yl)benzoic acid
CID 58443344

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone?
The IUPAC name of [3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone (CID 702752) is [3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone?
The canonical SMILES for [3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone is C[C@H]1CCCCN1c1ccc(C(=O)c2ccccc2)cc1F.
What is the InChIKey of [3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone?
The InChIKey is UHQWVSBXCQWALF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FNO/c1-14-7-5-6-12-21(14)18-11-10-16(13-17(18)20)19(22)15-8-3-2-4-9-15/h2-4,8-11,13-14H,5-7,12H2,1H3/t14-/m0/s1.
What are the key properties of [3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone?
[3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone has a molecular weight of 297.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 702752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).