N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide

C14H19FN2O2 — CID 119301158

IUPACN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(CO)c(F)c1)C1CCCNC1
InChIInChI=1S/C14H19FN2O2/c15-13-6-10(3-4-12(13)9-18)7-17-14(19)11-2-1-5-16-8-11/h3-4,6,11,16,18H,1-2,5,7-9H2,(H,17,19)
InChIKeyHIEIYTKDQWZLDQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.93
Rot. Bonds4

About N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide

N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119301158) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119301158
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(CO)c(F)c1)C1CCCNC1
InChIInChI=1S/C14H19FN2O2/c15-13-6-10(3-4-12(13)9-18)7-17-14(19)11-2-1-5-16-8-11/h3-4,6,11,16,18H,1-2,5,7-9H2,(H,17,19)
InChIKeyHIEIYTKDQWZLDQ-UHFFFAOYSA-N
XLogP0.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
N-((4-(hydroxymethyl)phenyl) (phenyl)methyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171903654
N-cyclopropyl-1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 71934976
2-(1-ethylpiperidin-4-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 97206604
(2S)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]oxane-2-carboxamide
CID 164643444
N-cyclohexyl-3-fluoro-4-(hydroxymethyl)benzamide
CID 70878845
N-(cyclohexylmethyl)-3,5-difluoro-4-(hydroxymethyl)benzamide
CID 70878858
3-fluoro-4-(hydroxymethyl)-N-(3-methylbutan-2-yl)benzamide
CID 70878860
3-fluoro-4-(hydroxymethyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 70878868
N-(cyclohexylmethyl)-3-fluoro-4-(hydroxymethyl)benzamide
CID 70878874
3-fluoro-4-(hydroxymethyl)-N-(2-methylcyclohexyl)benzamide
CID 70878877
(3S)-1-butyl-9-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 71164426

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide (CID 119301158) is N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccc(CO)c(F)c1)C1CCCNC1.
What is the InChIKey of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is HIEIYTKDQWZLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-13-6-10(3-4-12(13)9-18)7-17-14(19)11-2-1-5-16-8-11/h3-4,6,11,16,18H,1-2,5,7-9H2,(H,17,19).
What are the key properties of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide?
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119301158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).