[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine

C15H19F3N4 — CID 154536401

IUPAC[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine
SMILESCn1nc(C2CCN(CN)CC2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H19F3N4/c1-21-13-8-11(15(16,17)18)2-3-12(13)14(20-21)10-4-6-22(9-19)7-5-10/h2-3,8,10H,4-7,9,19H2,1H3
InChIKeyLALYPBRBVLZVGR-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.69
Rot. Bonds2

About [4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine

[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine (PubChem CID 154536401) has the molecular formula C15H19F3N4 and a molecular weight of 312.34 g/mol. Its IUPAC name is [4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine.

Molecular Properties

Compound Name[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine
PubChem CID154536401
Molecular FormulaC15H19F3N4
Molecular Weight312.34 g/mol
Exact Mass312.16
IUPAC Name[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine
SMILESCn1nc(C2CCN(CN)CC2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H19F3N4/c1-21-13-8-11(15(16,17)18)2-3-12(13)14(20-21)10-4-6-22(9-19)7-5-10/h2-3,8,10H,4-7,9,19H2,1H3
InChIKeyLALYPBRBVLZVGR-UHFFFAOYSA-N
XLogP2.69
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine?
The IUPAC name of [4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine (CID 154536401) is [4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine.
What is the SMILES notation for [4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine?
The canonical SMILES for [4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine is Cn1nc(C2CCN(CN)CC2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of [4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine?
The InChIKey is LALYPBRBVLZVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4/c1-21-13-8-11(15(16,17)18)2-3-12(13)14(20-21)10-4-6-22(9-19)7-5-10/h2-3,8,10H,4-7,9,19H2,1H3.
What are the key properties of [4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine?
[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine has a molecular weight of 312.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methanamine is sourced from PubChem (CID 154536401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).