3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide

C14H19FN2O2 — CID 114681500

IUPAC3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CN(Cc2ccc(C(N)=O)cc2F)CCC1O
InChIInChI=1S/C14H19FN2O2/c1-9-7-17(5-4-13(9)18)8-11-3-2-10(14(16)19)6-12(11)15/h2-3,6,9,13,18H,4-5,7-8H2,1H3,(H2,16,19)
InChIKeyPJWUONMEFKPOES-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.13
Rot. Bonds3

About 3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide

3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 114681500) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide
PubChem CID114681500
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CN(Cc2ccc(C(N)=O)cc2F)CCC1O
InChIInChI=1S/C14H19FN2O2/c1-9-7-17(5-4-13(9)18)8-11-3-2-10(14(16)19)6-12(11)15/h2-3,6,9,13,18H,4-5,7-8H2,1H3,(H2,16,19)
InChIKeyPJWUONMEFKPOES-UHFFFAOYSA-N
XLogP1.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 79031716
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide
CID 102985021
3-fluoro-4-[(3-methylpiperazin-1-yl)methyl]benzamide
CID 65449051
4-fluoro-3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 114678673
3-fluoro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 66196185
3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide
CID 63769254
3-fluoro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 63531304
1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502450
4-[(3,4-dimethylpiperazin-1-yl)methyl]-3-fluorobenzoic acid
CID 63619867
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-3-fluorobenzenecarboximidamide
CID 79188251
3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 55130589
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 105357465

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide (CID 114681500) is 3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide is CC1CN(Cc2ccc(C(N)=O)cc2F)CCC1O.
What is the InChIKey of 3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is PJWUONMEFKPOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-7-17(5-4-13(9)18)8-11-3-2-10(14(16)19)6-12(11)15/h2-3,6,9,13,18H,4-5,7-8H2,1H3,(H2,16,19).
What are the key properties of 3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide?
3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 114681500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).