N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H23F3N2O — CID 54905601

IUPACN-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CCCOC2)CC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-5-3-12(4-6-18)17-8-11-2-1-7-19-9-11/h11-12,17H,1-10H2
InChIKeyQSYWBLSIYGNMOJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds4

About N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 54905601) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID54905601
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CCCOC2)CC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-5-3-12(4-6-18)17-8-11-2-1-7-19-9-11/h11-12,17H,1-10H2
InChIKeyQSYWBLSIYGNMOJ-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 54905601) is N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCC2CCCOC2)CC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is QSYWBLSIYGNMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-18-5-3-12(4-6-18)17-8-11-2-1-7-19-9-11/h11-12,17H,1-10H2.
What are the key properties of N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 54905601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).