N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide

C14H19FN2O2 — CID 119301136

IUPACN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(CO)c(F)c1)C1CCCCN1
InChIInChI=1S/C14H19FN2O2/c15-12-7-10(4-5-11(12)9-18)8-17-14(19)13-3-1-2-6-16-13/h4-5,7,13,16,18H,1-3,6,8-9H2,(H,17,19)
InChIKeyQCOPYWIJMRPNIP-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.08
Rot. Bonds4

About N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide

N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 119301136) 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-2-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID119301136
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(CO)c(F)c1)C1CCCCN1
InChIInChI=1S/C14H19FN2O2/c15-12-7-10(4-5-11(12)9-18)8-17-14(19)13-3-1-2-6-16-13/h4-5,7,13,16,18H,1-3,6,8-9H2,(H,17,19)
InChIKeyQCOPYWIJMRPNIP-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-N'-(1-phenylethyl)ethanediamide
CID 56765501
N-cyclohexyl-4-(hydroxymethyl)-benzamide
CID 18363081
N-((4-(hydroxymethyl)phenyl) (phenyl)methyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171903654
N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide
CID 164889255
N1-(4-fluorobenzyl)-N2-(3-hydroxy-3-phenylpropyl)oxalamide
CID 71782302
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 71865849
N-[(2S)-2-(dimethylamino)pentyl]-2-[4-(hydroxymethyl)phenyl]acetamide
CID 129613881
3-[[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]azepan-2-one
CID 138016331
(2S)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]oxane-2-carboxamide
CID 164643444
(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]amino]pentanamide
CID 10173492
(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-piperidin-1-ylpropan-1-one
CID 44183239
2-Amino-3-(4-fluorophenyl)-3-hydroxy-1-piperidin-1-ylpropan-1-one
CID 57955451

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide (CID 119301136) is N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide is O=C(NCc1ccc(CO)c(F)c1)C1CCCCN1.
What is the InChIKey of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is QCOPYWIJMRPNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-7-10(4-5-11(12)9-18)8-17-14(19)13-3-1-2-6-16-13/h4-5,7,13,16,18H,1-3,6,8-9H2,(H,17,19).
What are the key properties of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide?
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.08, 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-2-carboxamide is sourced from PubChem (CID 119301136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).