5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol

C21H25N3O — CID 59159192

IUPAC5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol
SMILESCc1ccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)cc1O
InChIInChI=1S/C21H25N3O/c1-15-4-5-18(11-21(15)25)14-24-8-2-3-17(13-24)9-16-6-7-20-19(10-16)12-22-23-20/h4-7,10-12,17,25H,2-3,8-9,13-14H2,1H3,(H,22,23)
InChIKeySICJOKJVGHGFLM-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.03
Rot. Bonds4

About 5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol

5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol (PubChem CID 59159192) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol.

Molecular Properties

Compound Name5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol
PubChem CID59159192
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol
SMILESCc1ccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)cc1O
InChIInChI=1S/C21H25N3O/c1-15-4-5-18(11-21(15)25)14-24-8-2-3-17(13-24)9-16-6-7-20-19(10-16)12-22-23-20/h4-7,10-12,17,25H,2-3,8-9,13-14H2,1H3,(H,22,23)
InChIKeySICJOKJVGHGFLM-UHFFFAOYSA-N
XLogP4.03
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol?
The IUPAC name of 5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol (CID 59159192) is 5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol.
What is the SMILES notation for 5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol?
The canonical SMILES for 5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol is Cc1ccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)cc1O.
What is the InChIKey of 5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol?
The InChIKey is SICJOKJVGHGFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-4-5-18(11-21(15)25)14-24-8-2-3-17(13-24)9-16-6-7-20-19(10-16)12-22-23-20/h4-7,10-12,17,25H,2-3,8-9,13-14H2,1H3,(H,22,23).
What are the key properties of 5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol?
5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol has a molecular weight of 335.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol is sourced from PubChem (CID 59159192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).