N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine

C14H17F3N4 — CID 43788150

IUPACN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine
SMILESFC(F)(F)CN1CCC(Nc2cccc3cn[nH]c23)CC1
InChIInChI=1S/C14H17F3N4/c15-14(16,17)9-21-6-4-11(5-7-21)19-12-3-1-2-10-8-18-20-13(10)12/h1-3,8,11,19H,4-7,9H2,(H,18,20)
InChIKeyHKKUOZDFWDHGNZ-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.00
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine

N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine (PubChem CID 43788150) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine
PubChem CID43788150
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine
SMILESFC(F)(F)CN1CCC(Nc2cccc3cn[nH]c23)CC1
InChIInChI=1S/C14H17F3N4/c15-14(16,17)9-21-6-4-11(5-7-21)19-12-3-1-2-10-8-18-20-13(10)12/h1-3,8,11,19H,4-7,9H2,(H,18,20)
InChIKeyHKKUOZDFWDHGNZ-UHFFFAOYSA-N
XLogP3.00
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine (CID 43788150) is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine is FC(F)(F)CN1CCC(Nc2cccc3cn[nH]c23)CC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine?
The InChIKey is HKKUOZDFWDHGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c15-14(16,17)9-21-6-4-11(5-7-21)19-12-3-1-2-10-8-18-20-13(10)12/h1-3,8,11,19H,4-7,9H2,(H,18,20).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine?
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine has a molecular weight of 298.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-indazol-7-amine is sourced from PubChem (CID 43788150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).