N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine

C18H25F3N2O — CID 118454348

IUPACN-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine
SMILESFC(F)(F)C1CC(NCc2ccccc2)CCN1C1CCOCC1
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)17-12-15(22-13-14-4-2-1-3-5-14)6-9-23(17)16-7-10-24-11-8-16/h1-5,15-17,22H,6-13H2
InChIKeyKRAWFKDDROXCMS-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.35
Rot. Bonds4

About N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine

N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine (PubChem CID 118454348) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine
PubChem CID118454348
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC NameN-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine
SMILESFC(F)(F)C1CC(NCc2ccccc2)CCN1C1CCOCC1
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)17-12-15(22-13-14-4-2-1-3-5-14)6-9-23(17)16-7-10-24-11-8-16/h1-5,15-17,22H,6-13H2
InChIKeyKRAWFKDDROXCMS-UHFFFAOYSA-N
XLogP3.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine?
The IUPAC name of N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine (CID 118454348) is N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine.
What is the SMILES notation for N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine?
The canonical SMILES for N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine is FC(F)(F)C1CC(NCc2ccccc2)CCN1C1CCOCC1.
What is the InChIKey of N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine?
The InChIKey is KRAWFKDDROXCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c19-18(20,21)17-12-15(22-13-14-4-2-1-3-5-14)6-9-23(17)16-7-10-24-11-8-16/h1-5,15-17,22H,6-13H2.
What are the key properties of N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine?
N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine has a molecular weight of 342.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(oxan-4-yl)-2-(trifluoromethyl)piperidin-4-amine is sourced from PubChem (CID 118454348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).