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

C11H19F3N2O2 — CID 56791102

IUPAC2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCCC(O)C1CCCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-2-9(17)8-5-3-4-6-16(8)10(18)15-7-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeyDSDAVRYPXOEWPQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.88
Rot. Bonds3

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

2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 56791102) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID56791102
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCCC(O)C1CCCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-2-9(17)8-5-3-4-6-16(8)10(18)15-7-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeyDSDAVRYPXOEWPQ-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.88
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
1-[1-(2-Hydroxybutyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 75444529
(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-[1-[(2S)-2-hydroxybutyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 97335352
1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 97335353
N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
CID 103912756
4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 103912841
2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide
CID 108866089

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 56791102) is 2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CCC(O)C1CCCCN1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is DSDAVRYPXOEWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-9(17)8-5-3-4-6-16(8)10(18)15-7-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18).
What are the key properties of 2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 56791102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).