N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine

C14H17F3N4 — CID 130335568

IUPACN-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
SMILESFC(F)(F)c1cc(NC[C@H]2CCCCN2)c2cn[nH]c2c1
InChIInChI=1S/C14H17F3N4/c15-14(16,17)9-5-12(11-8-20-21-13(11)6-9)19-7-10-3-1-2-4-18-10/h5-6,8,10,18-19H,1-4,7H2,(H,20,21)/t10-/m1/s1
InChIKeyGRCKDKAZGRUCFA-SNVBAGLBSA-N
MW298.31 g/mol
LogP3.14
Rot. Bonds3

About N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine

N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine (PubChem CID 130335568) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
PubChem CID130335568
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC NameN-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
SMILESFC(F)(F)c1cc(NC[C@H]2CCCCN2)c2cn[nH]c2c1
InChIInChI=1S/C14H17F3N4/c15-14(16,17)9-5-12(11-8-20-21-13(11)6-9)19-7-10-3-1-2-4-18-10/h5-6,8,10,18-19H,1-4,7H2,(H,20,21)/t10-/m1/s1
InChIKeyGRCKDKAZGRUCFA-SNVBAGLBSA-N
XLogP3.14
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine?
The IUPAC name of N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine (CID 130335568) is N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine.
What is the SMILES notation for N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine?
The canonical SMILES for N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine is FC(F)(F)c1cc(NC[C@H]2CCCCN2)c2cn[nH]c2c1.
What is the InChIKey of N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine?
The InChIKey is GRCKDKAZGRUCFA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17F3N4/c15-14(16,17)9-5-12(11-8-20-21-13(11)6-9)19-7-10-3-1-2-4-18-10/h5-6,8,10,18-19H,1-4,7H2,(H,20,21)/t10-/m1/s1.
What are the key properties of N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine?
N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine has a molecular weight of 298.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine is sourced from PubChem (CID 130335568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).