1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine

C15H21ClN4 — CID 3021363

IUPAC1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine
SMILESNc1nn(CCCN2CCC(Cl)CC2)c2ccccc12
InChIInChI=1S/C15H21ClN4/c16-12-6-10-19(11-7-12)8-3-9-20-14-5-2-1-4-13(14)15(17)18-20/h1-2,4-5,12H,3,6-11H2,(H2,17,18)
InChIKeyFWDIFFOENBPXBC-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.71
Rot. Bonds4

About 1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine

1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine (PubChem CID 3021363) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine.

Molecular Properties

Compound Name1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine
PubChem CID3021363
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine
SMILESNc1nn(CCCN2CCC(Cl)CC2)c2ccccc12
InChIInChI=1S/C15H21ClN4/c16-12-6-10-19(11-7-12)8-3-9-20-14-5-2-1-4-13(14)15(17)18-20/h1-2,4-5,12H,3,6-11H2,(H2,17,18)
InChIKeyFWDIFFOENBPXBC-UHFFFAOYSA-N
XLogP2.71
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine?
The IUPAC name of 1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine (CID 3021363) is 1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine.
What is the SMILES notation for 1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine?
The canonical SMILES for 1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine is Nc1nn(CCCN2CCC(Cl)CC2)c2ccccc12.
What is the InChIKey of 1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine?
The InChIKey is FWDIFFOENBPXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c16-12-6-10-19(11-7-12)8-3-9-20-14-5-2-1-4-13(14)15(17)18-20/h1-2,4-5,12H,3,6-11H2,(H2,17,18).
What are the key properties of 1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine?
1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine has a molecular weight of 292.81 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine is sourced from PubChem (CID 3021363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).