[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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Related Compounds

(1R)-2-[[4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 142164302
(3-cyclopropyl-1-methylindazol-6-yl)methanamine
CID 105453741
3-[1-[2-chloro-4-(trifluoromethyl)phenyl]azetidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide
CID 155671189
2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine
CID 71651587
3-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136980268
[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834617
[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine
CID 105485238
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
3-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262969
N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
CID 133404980
3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide
CID 155671166
[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine
CID 178136681

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).