3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol

C20H23N3O — CID 59159097

IUPAC3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C20H23N3O/c24-19-5-1-3-17(11-19)14-23-8-2-4-16(13-23)9-15-6-7-20-18(10-15)12-21-22-20/h1,3,5-7,10-12,16,24H,2,4,8-9,13-14H2,(H,21,22)
InChIKeyUDXCQFBTKWGMEB-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.72
Rot. Bonds4

About 3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol

3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol (PubChem CID 59159097) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol
PubChem CID59159097
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C20H23N3O/c24-19-5-1-3-17(11-19)14-23-8-2-4-16(13-23)9-15-6-7-20-18(10-15)12-21-22-20/h1,3,5-7,10-12,16,24H,2,4,8-9,13-14H2,(H,21,22)
InChIKeyUDXCQFBTKWGMEB-UHFFFAOYSA-N
XLogP3.72
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol (CID 59159097) is 3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol is Oc1cccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of 3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is UDXCQFBTKWGMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-19-5-1-3-17(11-19)14-23-8-2-4-16(13-23)9-15-6-7-20-18(10-15)12-21-22-20/h1,3,5-7,10-12,16,24H,2,4,8-9,13-14H2,(H,21,22).
What are the key properties of 3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol?
3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 321.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 59159097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).