(3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine

C18H24F4N2O — CID 11417083

IUPAC(3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine
SMILESFc1ccc(C(F)(F)F)c(CN(C2CCOCC2)[C@@H]2CCCNC2)c1
InChIInChI=1S/C18H24F4N2O/c19-14-3-4-17(18(20,21)22)13(10-14)12-24(15-5-8-25-9-6-15)16-2-1-7-23-11-16/h3-4,10,15-16,23H,1-2,5-9,11-12H2/t16-/m1/s1
InChIKeyIGMYADVQKSDXEI-MRXNPFEDSA-N
MW360.40 g/mol
LogP3.58
Rot. Bonds4

About (3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine

(3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine (PubChem CID 11417083) has the molecular formula C18H24F4N2O and a molecular weight of 360.40 g/mol. Its IUPAC name is (3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine
PubChem CID11417083
Molecular FormulaC18H24F4N2O
Molecular Weight360.40 g/mol
Exact Mass360.18
IUPAC Name(3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine
SMILESFc1ccc(C(F)(F)F)c(CN(C2CCOCC2)[C@@H]2CCCNC2)c1
InChIInChI=1S/C18H24F4N2O/c19-14-3-4-17(18(20,21)22)13(10-14)12-24(15-5-8-25-9-6-15)16-2-1-7-23-11-16/h3-4,10,15-16,23H,1-2,5-9,11-12H2/t16-/m1/s1
InChIKeyIGMYADVQKSDXEI-MRXNPFEDSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine?
The IUPAC name of (3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine (CID 11417083) is (3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine?
The canonical SMILES for (3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine is Fc1ccc(C(F)(F)F)c(CN(C2CCOCC2)[C@@H]2CCCNC2)c1.
What is the InChIKey of (3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine?
The InChIKey is IGMYADVQKSDXEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24F4N2O/c19-14-3-4-17(18(20,21)22)13(10-14)12-24(15-5-8-25-9-6-15)16-2-1-7-23-11-16/h3-4,10,15-16,23H,1-2,5-9,11-12H2/t16-/m1/s1.
What are the key properties of (3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine?
(3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine has a molecular weight of 360.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine is sourced from PubChem (CID 11417083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).