N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine

C16H24N4 — CID 3068040

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
SMILESCC1CCCCN1CCCNc1n[nH]c2ccccc12
InChIInChI=1S/C16H24N4/c1-13-7-4-5-11-20(13)12-6-10-17-16-14-8-2-3-9-15(14)18-19-16/h2-3,8-9,13H,4-7,10-12H2,1H3,(H2,17,18,19)
InChIKeyVZSXQCXKIJCHOP-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.24
Rot. Bonds5

About N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine

N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine (PubChem CID 3068040) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
PubChem CID3068040
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
SMILESCC1CCCCN1CCCNc1n[nH]c2ccccc12
InChIInChI=1S/C16H24N4/c1-13-7-4-5-11-20(13)12-6-10-17-16-14-8-2-3-9-15(14)18-19-16/h2-3,8-9,13H,4-7,10-12H2,1H3,(H2,17,18,19)
InChIKeyVZSXQCXKIJCHOP-UHFFFAOYSA-N
XLogP3.24
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.24
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-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine (CID 3068040) is N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine is CC1CCCCN1CCCNc1n[nH]c2ccccc12.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine?
The InChIKey is VZSXQCXKIJCHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13-7-4-5-11-20(13)12-6-10-17-16-14-8-2-3-9-15(14)18-19-16/h2-3,8-9,13H,4-7,10-12H2,1H3,(H2,17,18,19).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine?
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine has a molecular weight of 272.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine is sourced from PubChem (CID 3068040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).