N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H24F3N3O — CID 79082139

IUPACN-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCN1CCOC(CNC2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H24F3N3O/c1-18-6-7-20-12(9-18)8-17-11-2-4-19(5-3-11)10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyMMSXESUSPAECMQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.93
Rot. Bonds4

About N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 79082139) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID79082139
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCN1CCOC(CNC2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H24F3N3O/c1-18-6-7-20-12(9-18)8-17-11-2-4-19(5-3-11)10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyMMSXESUSPAECMQ-UHFFFAOYSA-N
XLogP0.93
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 79082139) is N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CN1CCOC(CNC2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is MMSXESUSPAECMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-18-6-7-20-12(9-18)8-17-11-2-4-19(5-3-11)10-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 79082139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).