2-piperidin-1-ylindazole

C12H15N3 — CID 154361634

IUPAC2-piperidin-1-ylindazole
SMILESc1ccc2nn(N3CCCCC3)cc2c1
InChIInChI=1S/C12H15N3/c1-4-8-14(9-5-1)15-10-11-6-2-3-7-12(11)13-15/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyPSZDSNKICBDDDC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.16
Rot. Bonds1

About 2-piperidin-1-ylindazole

2-piperidin-1-ylindazole (PubChem CID 154361634) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-piperidin-1-ylindazole.

Molecular Properties

Compound Name2-piperidin-1-ylindazole
PubChem CID154361634
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-piperidin-1-ylindazole
SMILESc1ccc2nn(N3CCCCC3)cc2c1
InChIInChI=1S/C12H15N3/c1-4-8-14(9-5-1)15-10-11-6-2-3-7-12(11)13-15/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyPSZDSNKICBDDDC-UHFFFAOYSA-N
XLogP2.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylindazole?
The IUPAC name of 2-piperidin-1-ylindazole (CID 154361634) is 2-piperidin-1-ylindazole.
What is the SMILES notation for 2-piperidin-1-ylindazole?
The canonical SMILES for 2-piperidin-1-ylindazole is c1ccc2nn(N3CCCCC3)cc2c1.
What is the InChIKey of 2-piperidin-1-ylindazole?
The InChIKey is PSZDSNKICBDDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-4-8-14(9-5-1)15-10-11-6-2-3-7-12(11)13-15/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 2-piperidin-1-ylindazole?
2-piperidin-1-ylindazole has a molecular weight of 201.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylindazole is sourced from PubChem (CID 154361634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).