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

C12H20F3N5 — CID 43783924

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)c1nncn1C
InChIInChI=1S/C12H20F3N5/c1-9(11-18-16-8-19(11)2)17-10-3-5-20(6-4-10)7-12(13,14)15/h8-10,17H,3-7H2,1-2H3
InChIKeyBTFFPZQIFOQREO-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.49
Rot. Bonds4

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43783924) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43783924
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)c1nncn1C
InChIInChI=1S/C12H20F3N5/c1-9(11-18-16-8-19(11)2)17-10-3-5-20(6-4-10)7-12(13,14)15/h8-10,17H,3-7H2,1-2H3
InChIKeyBTFFPZQIFOQREO-UHFFFAOYSA-N
XLogP1.49
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
8-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 66846312
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
2-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine
CID 54592632
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 44721353
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
4-(diethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 72153018
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43783924) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(NC1CCN(CC(F)(F)F)CC1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is BTFFPZQIFOQREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-9(11-18-16-8-19(11)2)17-10-3-5-20(6-4-10)7-12(13,14)15/h8-10,17H,3-7H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 291.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43783924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).