N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C12H21F3N2O2 — CID 111433665

IUPACN-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC(O)CCNC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-9(18)4-5-16-11(19)10-3-2-6-17(7-10)8-12(13,14)15/h9-10,18H,2-8H2,1H3,(H,16,19)
InChIKeyXUCKKEVFMGVFMD-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.15
Rot. Bonds5

About N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 111433665) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID111433665
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC(O)CCNC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-9(18)4-5-16-11(19)10-3-2-6-17(7-10)8-12(13,14)15/h9-10,18H,2-8H2,1H3,(H,16,19)
InChIKeyXUCKKEVFMGVFMD-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 111433665) is N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CC(O)CCNC(=O)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is XUCKKEVFMGVFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(18)4-5-16-11(19)10-3-2-6-17(7-10)8-12(13,14)15/h9-10,18H,2-8H2,1H3,(H,16,19).
What are the key properties of N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 111433665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).