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

C12H20F3N5 — CID 63332411

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCn1cnnc1CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N5/c1-19-9-17-18-11(19)2-5-16-10-3-6-20(7-4-10)8-12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyHNVPQDBTOBOFOF-UHFFFAOYSA-N
MW291.32 g/mol
LogP0.97
Rot. Bonds5

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 63332411) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID63332411
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCn1cnnc1CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N5/c1-19-9-17-18-11(19)2-5-16-10-3-6-20(7-4-10)8-12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyHNVPQDBTOBOFOF-UHFFFAOYSA-N
XLogP0.97
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 63332411) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cn1cnnc1CCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is HNVPQDBTOBOFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-19-9-17-18-11(19)2-5-16-10-3-6-20(7-4-10)8-12(13,14)15/h9-10,16H,2-8H2,1H3.
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[2-(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 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 63332411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).