[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C14H18F3N3O2 — CID 75392712

IUPAC[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)13(22)5-7-20(8-6-13)12(21)11-9-3-1-2-4-10(9)18-19-11/h22H,1-8H2,(H,18,19)
InChIKeyFQFNYIWGONTVPS-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.82
Rot. Bonds1

About [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 75392712) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID75392712
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)13(22)5-7-20(8-6-13)12(21)11-9-3-1-2-4-10(9)18-19-11/h22H,1-8H2,(H,18,19)
InChIKeyFQFNYIWGONTVPS-UHFFFAOYSA-N
XLogP1.82
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 75392712) is [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2c1CCCC2)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is FQFNYIWGONTVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c15-14(16,17)13(22)5-7-20(8-6-13)12(21)11-9-3-1-2-4-10(9)18-19-11/h22H,1-8H2,(H,18,19).
What are the key properties of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 317.31 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 75392712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).