6-nitro-1-(1-propylpiperidin-4-yl)indazole

C15H20N4O2 — CID 68607900

IUPAC6-nitro-1-(1-propylpiperidin-4-yl)indazole
SMILESCCCN1CCC(n2ncc3ccc([N+](=O)[O-])cc32)CC1
InChIInChI=1S/C15H20N4O2/c1-2-7-17-8-5-13(6-9-17)18-15-10-14(19(20)21)4-3-12(15)11-16-18/h3-4,10-11,13H,2,5-9H2,1H3
InChIKeyHNDHHZOMAAWTNX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.99
Rot. Bonds4

About 6-nitro-1-(1-propylpiperidin-4-yl)indazole

6-nitro-1-(1-propylpiperidin-4-yl)indazole (PubChem CID 68607900) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-nitro-1-(1-propylpiperidin-4-yl)indazole.

Molecular Properties

Compound Name6-nitro-1-(1-propylpiperidin-4-yl)indazole
PubChem CID68607900
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-nitro-1-(1-propylpiperidin-4-yl)indazole
SMILESCCCN1CCC(n2ncc3ccc([N+](=O)[O-])cc32)CC1
InChIInChI=1S/C15H20N4O2/c1-2-7-17-8-5-13(6-9-17)18-15-10-14(19(20)21)4-3-12(15)11-16-18/h3-4,10-11,13H,2,5-9H2,1H3
InChIKeyHNDHHZOMAAWTNX-UHFFFAOYSA-N
XLogP2.99
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-nitro-1-(1-propylpiperidin-4-yl)indazole?
The IUPAC name of 6-nitro-1-(1-propylpiperidin-4-yl)indazole (CID 68607900) is 6-nitro-1-(1-propylpiperidin-4-yl)indazole.
What is the SMILES notation for 6-nitro-1-(1-propylpiperidin-4-yl)indazole?
The canonical SMILES for 6-nitro-1-(1-propylpiperidin-4-yl)indazole is CCCN1CCC(n2ncc3ccc([N+](=O)[O-])cc32)CC1.
What is the InChIKey of 6-nitro-1-(1-propylpiperidin-4-yl)indazole?
The InChIKey is HNDHHZOMAAWTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-7-17-8-5-13(6-9-17)18-15-10-14(19(20)21)4-3-12(15)11-16-18/h3-4,10-11,13H,2,5-9H2,1H3.
What are the key properties of 6-nitro-1-(1-propylpiperidin-4-yl)indazole?
6-nitro-1-(1-propylpiperidin-4-yl)indazole has a molecular weight of 288.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1-(1-propylpiperidin-4-yl)indazole is sourced from PubChem (CID 68607900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).