N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H18F3N5 — CID 106282193

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)c1ncn[nH]1
InChIInChI=1S/C11H18F3N5/c1-8(10-15-7-16-18-10)17-9-2-4-19(5-3-9)6-11(12,13)14/h7-9,17H,2-6H2,1H3,(H,15,16,18)
InChIKeyFSPCYTGYXDOICX-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.48
Rot. Bonds4

About N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 106282193) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID106282193
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)c1ncn[nH]1
InChIInChI=1S/C11H18F3N5/c1-8(10-15-7-16-18-10)17-9-2-4-19(5-3-9)6-11(12,13)14/h7-9,17H,2-6H2,1H3,(H,15,16,18)
InChIKeyFSPCYTGYXDOICX-UHFFFAOYSA-N
XLogP1.48
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61276907
4-[3-(1,1-Difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidin
CID 59287293
4-[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]piperidine
CID 84037116
4,4-Difluoro-3-(4H-1,2,4-triazol-3-yl)piperidine
CID 164584666
4-[3-(Difluoromethyl)-1,2,4-triazol-1-yl]piperidine
CID 174285600
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43783924
N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54884743
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54896046
2-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 62406028
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63332411

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 106282193) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(NC1CCN(CC(F)(F)F)CC1)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is FSPCYTGYXDOICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-8(10-15-7-16-18-10)17-9-2-4-19(5-3-9)6-11(12,13)14/h7-9,17H,2-6H2,1H3,(H,15,16,18).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 106282193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).