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

C14H19FN2O2 — CID 119301148

IUPACN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(CO)c(F)c1)C1CCNCC1
InChIInChI=1S/C14H19FN2O2/c15-13-7-10(1-2-12(13)9-18)8-17-14(19)11-3-5-16-6-4-11/h1-2,7,11,16,18H,3-6,8-9H2,(H,17,19)
InChIKeyZXHQDWCHUZIFTQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.93
Rot. Bonds4

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

N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119301148) 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-4-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119301148
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(CO)c(F)c1)C1CCNCC1
InChIInChI=1S/C14H19FN2O2/c15-13-7-10(1-2-12(13)9-18)8-17-14(19)11-3-5-16-6-4-11/h1-2,7,11,16,18H,3-6,8-9H2,(H,17,19)
InChIKeyZXHQDWCHUZIFTQ-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
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 53512872
1-(2-hydroxy-2-phenylethyl)-N-propylpiperidine-4-carboxamide
CID 53527793
4-[(Piperidine-4-carbonylamino)methyl]benzoic acid
CID 61156862
1-(2-amino-2-oxoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-4-piperidinecarboxamide
CID 70761325
1-cyclohexyl-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-4-piperidinecarboxamide
CID 72858600
1-cyclohexyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-piperidinecarboxamide
CID 72876807
1-(cyclobutylcarbonyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-4-piperidinecarboxamide
CID 72921581
N-((4-(hydroxymethyl)phenyl) (phenyl)methyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171903654
N-[hydroxy(phenyl)methyl]acetamide
CID 18363668
1-(2-hydroxy-2-phenylethyl)-N-methylpiperidine-4-carboxamide
CID 45862471
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide (CID 119301148) is N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccc(CO)c(F)c1)C1CCNCC1.
What is the InChIKey of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is ZXHQDWCHUZIFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-13-7-10(1-2-12(13)9-18)8-17-14(19)11-3-5-16-6-4-11/h1-2,7,11,16,18H,3-6,8-9H2,(H,17,19).
What are the key properties of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide?
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-4-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-4-carboxamide is sourced from PubChem (CID 119301148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).