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

C12H22F3N3O2 — CID 83992274

IUPAC3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESCCC(O)CC1CC(NCC(F)(F)F)CN(C(N)=O)C1
InChIInChI=1S/C12H22F3N3O2/c1-2-10(19)4-8-3-9(17-7-12(13,14)15)6-18(5-8)11(16)20/h8-10,17,19H,2-7H2,1H3,(H2,16,20)
InChIKeyJPTHRKVRWMRWLB-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.07
Rot. Bonds5

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

3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (PubChem CID 83992274) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
PubChem CID83992274
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESCCC(O)CC1CC(NCC(F)(F)F)CN(C(N)=O)C1
InChIInChI=1S/C12H22F3N3O2/c1-2-10(19)4-8-3-9(17-7-12(13,14)15)6-18(5-8)11(16)20/h8-10,17,19H,2-7H2,1H3,(H2,16,20)
InChIKeyJPTHRKVRWMRWLB-UHFFFAOYSA-N
XLogP1.07
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992077
3-Methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
3,3-Dimethyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992079
1-Cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992080
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992116
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83992117
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol
CID 83992118
1-Cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992119
1-[1-Propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992145
3-Methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992146
1-Cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992147
1-[1-(2-Methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992167

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The IUPAC name of 3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (CID 83992274) is 3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is CCC(O)CC1CC(NCC(F)(F)F)CN(C(N)=O)C1.
What is the InChIKey of 3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The InChIKey is JPTHRKVRWMRWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-2-10(19)4-8-3-9(17-7-12(13,14)15)6-18(5-8)11(16)20/h8-10,17,19H,2-7H2,1H3,(H2,16,20).
What are the key properties of 3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 83992274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).