3-(1-pentylpiperidin-3-yl)-2H-indazole

C17H25N3 — CID 67818385

IUPAC3-(1-pentylpiperidin-3-yl)-2H-indazole
SMILESCCCCCN1CCCC(c2[nH]nc3ccccc23)C1
InChIInChI=1S/C17H25N3/c1-2-3-6-11-20-12-7-8-14(13-20)17-15-9-4-5-10-16(15)18-19-17/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3,(H,18,19)
InChIKeyOWAKCNGDZUORKY-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.93
Rot. Bonds5

About 3-(1-pentylpiperidin-3-yl)-2H-indazole

3-(1-pentylpiperidin-3-yl)-2H-indazole (PubChem CID 67818385) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-(1-pentylpiperidin-3-yl)-2H-indazole.

Molecular Properties

Compound Name3-(1-pentylpiperidin-3-yl)-2H-indazole
PubChem CID67818385
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-(1-pentylpiperidin-3-yl)-2H-indazole
SMILESCCCCCN1CCCC(c2[nH]nc3ccccc23)C1
InChIInChI=1S/C17H25N3/c1-2-3-6-11-20-12-7-8-14(13-20)17-15-9-4-5-10-16(15)18-19-17/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3,(H,18,19)
InChIKeyOWAKCNGDZUORKY-UHFFFAOYSA-N
XLogP3.93
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-pentylpiperidin-3-yl)-2H-indazole?
The IUPAC name of 3-(1-pentylpiperidin-3-yl)-2H-indazole (CID 67818385) is 3-(1-pentylpiperidin-3-yl)-2H-indazole.
What is the SMILES notation for 3-(1-pentylpiperidin-3-yl)-2H-indazole?
The canonical SMILES for 3-(1-pentylpiperidin-3-yl)-2H-indazole is CCCCCN1CCCC(c2[nH]nc3ccccc23)C1.
What is the InChIKey of 3-(1-pentylpiperidin-3-yl)-2H-indazole?
The InChIKey is OWAKCNGDZUORKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-3-6-11-20-12-7-8-14(13-20)17-15-9-4-5-10-16(15)18-19-17/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3,(H,18,19).
What are the key properties of 3-(1-pentylpiperidin-3-yl)-2H-indazole?
3-(1-pentylpiperidin-3-yl)-2H-indazole has a molecular weight of 271.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pentylpiperidin-3-yl)-2H-indazole is sourced from PubChem (CID 67818385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).