2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C9H15F3N2O2 — CID 115605706

IUPAC2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCCC1CO
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)14-4-2-1-3-7(14)5-15/h7,15H,1-6H2,(H,13,16)
InChIKeyJBNOKLBUNKACJD-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.11
Rot. Bonds2

About 2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 115605706) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID115605706
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCCC1CO
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)14-4-2-1-3-7(14)5-15/h7,15H,1-6H2,(H,13,16)
InChIKeyJBNOKLBUNKACJD-UHFFFAOYSA-N
XLogP1.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(diethylamino)propyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 172436856
(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 107224960
2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 56791102
(2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 95628315
(2S)-2-[(1R)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 95628316
(2R)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 95628317
(2R)-2-[(1R)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 95628318
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 104923876
1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 104954569
3-Cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea
CID 107479082
2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide
CID 108866089
2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 109882282

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 115605706) is 2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is JBNOKLBUNKACJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)14-4-2-1-3-7(14)5-15/h7,15H,1-6H2,(H,13,16).
What are the key properties of 2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 115605706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).