4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C10H17F3N2O2 — CID 103657827

IUPAC4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-7(16)8-2-4-15(5-3-8)9(17)14-6-10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17)
InChIKeyRDYFCVZVJWSQIN-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.35
Rot. Bonds2

About 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 103657827) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID103657827
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-7(16)8-2-4-15(5-3-8)9(17)14-6-10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17)
InChIKeyRDYFCVZVJWSQIN-UHFFFAOYSA-N
XLogP1.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-Hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 53616052
1-[(2S)-1-hydroxypropan-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650241
N,N-diethyl-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97239660
(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 107224960
(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
CID 51356760
(3S,4R,5R)-N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide
CID 51357033
N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide
CID 75631617
2,2,2-trifluoro-N-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 117855109
(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 126716147
3-(difluoromethyl)-5-hydroxy-N-propylpiperidine-1-carboxamide
CID 126716201
N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 130283303
(4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
CID 134386661

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 103657827) is 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CC(O)C1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is RDYFCVZVJWSQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(16)8-2-4-15(5-3-8)9(17)14-6-10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17).
What are the key properties of 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 103657827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).