N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine

C15H22N4 — CID 3068039

IUPACN-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine
SMILESc1ccc2c(NCCCN3CCCCC3)n[nH]c2c1
InChIInChI=1S/C15H22N4/c1-4-10-19(11-5-1)12-6-9-16-15-13-7-2-3-8-14(13)17-18-15/h2-3,7-8H,1,4-6,9-12H2,(H2,16,17,18)
InChIKeyVNQGLEGVJDTWLQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.85
Rot. Bonds5

About N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine

N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine (PubChem CID 3068039) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine
PubChem CID3068039
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine
SMILESc1ccc2c(NCCCN3CCCCC3)n[nH]c2c1
InChIInChI=1S/C15H22N4/c1-4-10-19(11-5-1)12-6-9-16-15-13-7-2-3-8-14(13)17-18-15/h2-3,7-8H,1,4-6,9-12H2,(H2,16,17,18)
InChIKeyVNQGLEGVJDTWLQ-UHFFFAOYSA-N
XLogP2.85
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
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 N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine (CID 3068039) is N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine is c1ccc2c(NCCCN3CCCCC3)n[nH]c2c1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine?
The InChIKey is VNQGLEGVJDTWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-10-19(11-5-1)12-6-9-16-15-13-7-2-3-8-14(13)17-18-15/h2-3,7-8H,1,4-6,9-12H2,(H2,16,17,18).
What are the key properties of N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine?
N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine has a molecular weight of 258.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine is sourced from PubChem (CID 3068039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).