1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H21F3N2O2 — CID 110009132

IUPAC1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)11-20-15(23)14-2-1-7-21(9-14)8-12-3-5-13(10-22)6-4-12/h3-6,14,22H,1-2,7-11H2,(H,20,23)
InChIKeyGHYOPNMLDMVVHP-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.07
Rot. Bonds5

About 1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 110009132) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID110009132
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)11-20-15(23)14-2-1-7-21(9-14)8-12-3-5-13(10-22)6-4-12/h3-6,14,22H,1-2,7-11H2,(H,20,23)
InChIKeyGHYOPNMLDMVVHP-UHFFFAOYSA-N
XLogP2.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 38030074
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 53512872
N-((4-(hydroxymethyl)phenyl) (phenyl)methyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171903654
N-(1-hydroxy-5-methyl-2-propyl-1H-inden-3-yl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171904076
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-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]amino]pentanamide
CID 10173492
(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
2,2,2-trifluoro-N-[3-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]acetamide
CID 87639564
4-[[[4-(2,2,2-Trifluoro-1-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 91475871
N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide
CID 118212468

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 110009132) is 1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(Cc2ccc(CO)cc2)C1.
What is the InChIKey of 1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is GHYOPNMLDMVVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c17-16(18,19)11-20-15(23)14-2-1-7-21(9-14)8-12-3-5-13(10-22)6-4-12/h3-6,14,22H,1-2,7-11H2,(H,20,23).
What are the key properties of 1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 110009132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).