1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine

C17H26N4 — CID 3021362

IUPAC1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine
SMILESCC1CCCC(C)N1CCCn1nc(N)c2ccccc21
InChIInChI=1S/C17H26N4/c1-13-7-5-8-14(2)20(13)11-6-12-21-16-10-4-3-9-15(16)17(18)19-21/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H2,18,19)
InChIKeyNDELKCRLNGLXQT-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.27
Rot. Bonds4

About 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine

1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine (PubChem CID 3021362) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine.

Molecular Properties

Compound Name1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine
PubChem CID3021362
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine
SMILESCC1CCCC(C)N1CCCn1nc(N)c2ccccc21
InChIInChI=1S/C17H26N4/c1-13-7-5-8-14(2)20(13)11-6-12-21-16-10-4-3-9-15(16)17(18)19-21/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H2,18,19)
InChIKeyNDELKCRLNGLXQT-UHFFFAOYSA-N
XLogP3.27
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine?
The IUPAC name of 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine (CID 3021362) is 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine.
What is the SMILES notation for 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine?
The canonical SMILES for 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine is CC1CCCC(C)N1CCCn1nc(N)c2ccccc21.
What is the InChIKey of 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine?
The InChIKey is NDELKCRLNGLXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13-7-5-8-14(2)20(13)11-6-12-21-16-10-4-3-9-15(16)17(18)19-21/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H2,18,19).
What are the key properties of 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine?
1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine has a molecular weight of 286.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]indazol-3-amine is sourced from PubChem (CID 3021362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).