1-pentyl-3-piperidin-3-ylindazole

C17H25N3 — CID 67818379

IUPAC1-pentyl-3-piperidin-3-ylindazole
SMILESCCCCCn1nc(C2CCCNC2)c2ccccc21
InChIInChI=1S/C17H25N3/c1-2-3-6-12-20-16-10-5-4-9-15(16)17(19-20)14-8-7-11-18-13-14/h4-5,9-10,14,18H,2-3,6-8,11-13H2,1H3
InChIKeySMZBAQSGODTWKE-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.69
Rot. Bonds5

About 1-pentyl-3-piperidin-3-ylindazole

1-pentyl-3-piperidin-3-ylindazole (PubChem CID 67818379) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-pentyl-3-piperidin-3-ylindazole.

Molecular Properties

Compound Name1-pentyl-3-piperidin-3-ylindazole
PubChem CID67818379
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-pentyl-3-piperidin-3-ylindazole
SMILESCCCCCn1nc(C2CCCNC2)c2ccccc21
InChIInChI=1S/C17H25N3/c1-2-3-6-12-20-16-10-5-4-9-15(16)17(19-20)14-8-7-11-18-13-14/h4-5,9-10,14,18H,2-3,6-8,11-13H2,1H3
InChIKeySMZBAQSGODTWKE-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-pentyl-3-piperidin-3-ylindazole?
The IUPAC name of 1-pentyl-3-piperidin-3-ylindazole (CID 67818379) is 1-pentyl-3-piperidin-3-ylindazole.
What is the SMILES notation for 1-pentyl-3-piperidin-3-ylindazole?
The canonical SMILES for 1-pentyl-3-piperidin-3-ylindazole is CCCCCn1nc(C2CCCNC2)c2ccccc21.
What is the InChIKey of 1-pentyl-3-piperidin-3-ylindazole?
The InChIKey is SMZBAQSGODTWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-3-6-12-20-16-10-5-4-9-15(16)17(19-20)14-8-7-11-18-13-14/h4-5,9-10,14,18H,2-3,6-8,11-13H2,1H3.
What are the key properties of 1-pentyl-3-piperidin-3-ylindazole?
1-pentyl-3-piperidin-3-ylindazole has a molecular weight of 271.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-piperidin-3-ylindazole is sourced from PubChem (CID 67818379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).