N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H18F3N5 — CID 54896046

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCn1cnnc1CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N5/c1-18-8-16-17-10(18)6-15-9-2-4-19(5-3-9)7-11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyXDFCVNULUBKWCR-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.93
Rot. Bonds4

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 54896046) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID54896046
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCn1cnnc1CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N5/c1-18-8-16-17-10(18)6-15-9-2-4-19(5-3-9)7-11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyXDFCVNULUBKWCR-UHFFFAOYSA-N
XLogP0.93
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 54896046) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cn1cnnc1CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is XDFCVNULUBKWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-18-8-16-17-10(18)6-15-9-2-4-19(5-3-9)7-11(12,13)14/h8-9,15H,2-7H2,1H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 54896046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).