3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide

C10H18F3N3O2 — CID 83992272

IUPAC3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESCC(O)C1CC(NCC(F)(F)F)CN(C(N)=O)C1
InChIInChI=1S/C10H18F3N3O2/c1-6(17)7-2-8(15-5-10(11,12)13)4-16(3-7)9(14)18/h6-8,15,17H,2-5H2,1H3,(H2,14,18)
InChIKeyYYOFZCMSKAWIQS-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.29
Rot. Bonds3

About 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide

3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (PubChem CID 83992272) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
PubChem CID83992272
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESCC(O)C1CC(NCC(F)(F)F)CN(C(N)=O)C1
InChIInChI=1S/C10H18F3N3O2/c1-6(17)7-2-8(15-5-10(11,12)13)4-16(3-7)9(14)18/h6-8,15,17H,2-5H2,1H3,(H2,14,18)
InChIKeyYYOFZCMSKAWIQS-UHFFFAOYSA-N
XLogP0.29
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75506486
N-[1-(3-hydroxycyclobutyl)ethyl]acetamide;1-(2,2,2-trifluoroethyl)piperazine
CID 160203571
N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 71968507
N-[2-(dimethylamino)-2-methylpropyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75383468
4-hydroxy-N-(1-methoxy-4-methylpentan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443058
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992075
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992076
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992114
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992115
1-[1-Propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992143
1-[1-Propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992144
1-[1-(2-Methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992165

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The IUPAC name of 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (CID 83992272) is 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The canonical SMILES for 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is CC(O)C1CC(NCC(F)(F)F)CN(C(N)=O)C1.
What is the InChIKey of 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The InChIKey is YYOFZCMSKAWIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-6(17)7-2-8(15-5-10(11,12)13)4-16(3-7)9(14)18/h6-8,15,17H,2-5H2,1H3,(H2,14,18).
What are the key properties of 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide has a molecular weight of 269.27 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 83992272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).