1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine

C16H28N4 — CID 43749196

IUPAC1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(CN1CCCCC1)NC1CCCc2c1cnn2C
InChIInChI=1S/C16H28N4/c1-13(12-20-9-4-3-5-10-20)18-15-7-6-8-16-14(15)11-17-19(16)2/h11,13,15,18H,3-10,12H2,1-2H3
InChIKeyPWYXRZUGVGCZPR-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.26
Rot. Bonds4

About 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43749196) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43749196
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(CN1CCCCC1)NC1CCCc2c1cnn2C
InChIInChI=1S/C16H28N4/c1-13(12-20-9-4-3-5-10-20)18-15-7-6-8-16-14(15)11-17-19(16)2/h11,13,15,18H,3-10,12H2,1-2H3
InChIKeyPWYXRZUGVGCZPR-UHFFFAOYSA-N
XLogP2.26
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine (CID 43749196) is 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine is CC(CN1CCCCC1)NC1CCCc2c1cnn2C.
What is the InChIKey of 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is PWYXRZUGVGCZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(12-20-9-4-3-5-10-20)18-15-7-6-8-16-14(15)11-17-19(16)2/h11,13,15,18H,3-10,12H2,1-2H3.
What are the key properties of 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 276.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43749196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).