1-(piperidin-1-ylmethyl)benzotriazole

C12H16N4 — CID 677211

IUPAC1-(piperidin-1-ylmethyl)benzotriazole
SMILESc1ccc2c(c1)nnn2CN1CCCCC1
InChIInChI=1S/C12H16N4/c1-4-8-15(9-5-1)10-16-12-7-3-2-6-11(12)13-14-16/h2-3,6-7H,1,4-5,8-10H2
InChIKeyMPBMIGLZRPKNKA-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.87
Rot. Bonds2

About 1-(piperidin-1-ylmethyl)benzotriazole

1-(piperidin-1-ylmethyl)benzotriazole (PubChem CID 677211) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(piperidin-1-ylmethyl)benzotriazole.

Molecular Properties

Compound Name1-(piperidin-1-ylmethyl)benzotriazole
PubChem CID677211
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(piperidin-1-ylmethyl)benzotriazole
SMILESc1ccc2c(c1)nnn2CN1CCCCC1
InChIInChI=1S/C12H16N4/c1-4-8-15(9-5-1)10-16-12-7-3-2-6-11(12)13-14-16/h2-3,6-7H,1,4-5,8-10H2
InChIKeyMPBMIGLZRPKNKA-UHFFFAOYSA-N
XLogP1.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(piperidin-1-ylmethyl)benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ylmethyl)benzotriazole?
The IUPAC name of 1-(piperidin-1-ylmethyl)benzotriazole (CID 677211) is 1-(piperidin-1-ylmethyl)benzotriazole.
What is the SMILES notation for 1-(piperidin-1-ylmethyl)benzotriazole?
The canonical SMILES for 1-(piperidin-1-ylmethyl)benzotriazole is c1ccc2c(c1)nnn2CN1CCCCC1.
What is the InChIKey of 1-(piperidin-1-ylmethyl)benzotriazole?
The InChIKey is MPBMIGLZRPKNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-4-8-15(9-5-1)10-16-12-7-3-2-6-11(12)13-14-16/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 1-(piperidin-1-ylmethyl)benzotriazole?
1-(piperidin-1-ylmethyl)benzotriazole has a molecular weight of 216.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylmethyl)benzotriazole is sourced from PubChem (CID 677211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).