(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol

C21H21F4N3O — CID 137456615

IUPAC(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
SMILESCn1nc(C(O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2cc(F)ccc21
InChIInChI=1S/C21H21F4N3O/c1-27-18-7-6-14(22)12-16(18)19(26-27)20(29)28-10-8-13(9-11-28)15-4-2-3-5-17(15)21(23,24)25/h2-7,12-13,20,29H,8-11H2,1H3
InChIKeyHBSIHSGNERYUBQ-UHFFFAOYSA-N
MW407.41 g/mol
LogP4.60
Rot. Bonds3

About (5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol

(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol (PubChem CID 137456615) has the molecular formula C21H21F4N3O and a molecular weight of 407.41 g/mol. Its IUPAC name is (5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol.

Molecular Properties

Compound Name(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
PubChem CID137456615
Molecular FormulaC21H21F4N3O
Molecular Weight407.41 g/mol
Exact Mass407.16
IUPAC Name(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
SMILESCn1nc(C(O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2cc(F)ccc21
InChIInChI=1S/C21H21F4N3O/c1-27-18-7-6-14(22)12-16(18)19(26-27)20(29)28-10-8-13(9-11-28)15-4-2-3-5-17(15)21(23,24)25/h2-7,12-13,20,29H,8-11H2,1H3
InChIKeyHBSIHSGNERYUBQ-UHFFFAOYSA-N
XLogP4.60
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The IUPAC name of (5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol (CID 137456615) is (5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol.
What is the SMILES notation for (5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The canonical SMILES for (5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol is Cn1nc(C(O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2cc(F)ccc21.
What is the InChIKey of (5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The InChIKey is HBSIHSGNERYUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4N3O/c1-27-18-7-6-14(22)12-16(18)19(26-27)20(29)28-10-8-13(9-11-28)15-4-2-3-5-17(15)21(23,24)25/h2-7,12-13,20,29H,8-11H2,1H3.
What are the key properties of (5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol has a molecular weight of 407.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol is sourced from PubChem (CID 137456615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).