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

C12H21F3N2O — CID 43765487

IUPACN-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)9-17-5-3-10(4-6-17)16-8-11-2-1-7-18-11/h10-11,16H,1-9H2
InChIKeyQTRAGMWGDASNLA-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.78
Rot. Bonds4

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

N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43765487) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43765487
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)9-17-5-3-10(4-6-17)16-8-11-2-1-7-18-11/h10-11,16H,1-9H2
InChIKeyQTRAGMWGDASNLA-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43765487) is N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCC2CCCO2)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is QTRAGMWGDASNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)9-17-5-3-10(4-6-17)16-8-11-2-1-7-18-11/h10-11,16H,1-9H2.
What are the key properties of N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 266.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43765487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).