4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide

C17H23F3N2O2 — CID 84599637

IUPAC4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
SMILESCC(Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C17H23F3N2O2/c1-12(10-14-4-2-3-5-15(14)17(18,19)20)21-16(24)22-8-6-13(11-23)7-9-22/h2-5,12-13,23H,6-11H2,1H3,(H,21,24)
InChIKeyXBTBTASLXRJVFB-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.05
Rot. Bonds4

About 4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide (PubChem CID 84599637) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
PubChem CID84599637
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
SMILESCC(Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C17H23F3N2O2/c1-12(10-14-4-2-3-5-15(14)17(18,19)20)21-16(24)22-8-6-13(11-23)7-9-22/h2-5,12-13,23H,6-11H2,1H3,(H,21,24)
InChIKeyXBTBTASLXRJVFB-UHFFFAOYSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide
CID 97347258
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110891614
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111122302
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 125137281
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110019212
(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97328185
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
CID 120552775
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
4-(hydroxymethyl)-N-(6-methylheptan-2-yl)piperidine-1-carboxamide
CID 110894480
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 124612859

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide (CID 84599637) is 4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide is CC(Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide?
The InChIKey is XBTBTASLXRJVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-12(10-14-4-2-3-5-15(14)17(18,19)20)21-16(24)22-8-6-13(11-23)7-9-22/h2-5,12-13,23H,6-11H2,1H3,(H,21,24).
What are the key properties of 4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 84599637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).