N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

C13H23F3N2O — CID 62575497

IUPACN-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESFC(F)(F)C1CCCN(CCNCC2CCOC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)12-2-1-5-18(9-12)6-4-17-8-11-3-7-19-10-11/h11-12,17H,1-10H2
InChIKeyFJHNEBNKPYTJPJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.89
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (PubChem CID 62575497) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
PubChem CID62575497
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESFC(F)(F)C1CCCN(CCNCC2CCOC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)12-2-1-5-18(9-12)6-4-17-8-11-3-7-19-10-11/h11-12,17H,1-10H2
InChIKeyFJHNEBNKPYTJPJ-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (CID 62575497) is N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is FC(F)(F)C1CCCN(CCNCC2CCOC2)C1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The InChIKey is FJHNEBNKPYTJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)12-2-1-5-18(9-12)6-4-17-8-11-3-7-19-10-11/h11-12,17H,1-10H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine has a molecular weight of 280.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 62575497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).