1-piperidin-4-ylbenzotriazole

C11H14N4 — CID 2735464

IUPAC1-piperidin-4-ylbenzotriazole
SMILESc1ccc2c(c1)nnn2C1CCNCC1
InChIInChI=1S/C11H14N4/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9/h1-4,9,12H,5-8H2
InChIKeySIAVYRCOEMDHCU-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.36
Rot. Bonds1

About 1-piperidin-4-ylbenzotriazole

1-piperidin-4-ylbenzotriazole (PubChem CID 2735464) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-piperidin-4-ylbenzotriazole.

Molecular Properties

Compound Name1-piperidin-4-ylbenzotriazole
PubChem CID2735464
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-piperidin-4-ylbenzotriazole
SMILESc1ccc2c(c1)nnn2C1CCNCC1
InChIInChI=1S/C11H14N4/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9/h1-4,9,12H,5-8H2
InChIKeySIAVYRCOEMDHCU-UHFFFAOYSA-N
XLogP1.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylbenzotriazole
CID 25902
1-Benzyl-1H-benzotriazole
CID 521212
1-Phenyl-1,2,3-benzotriazole
CID 136693
1-Ethylbenzotriazole
CID 27939
2-(1H-1,2,3-benzotriazol-1-yl)acetonitrile
CID 786302
1-Phenethyl-1H-benzo[d][1,2,3]triazole
CID 733621
3-(1H-benzo[d][1,2,3]triazol-1-yl)propanehydrazide
CID 949773
1-Phenyl-1H-benzo[d][1,2,3]triazol-5-amine
CID 231705
3-(1H-benzotriazol-1-yl)propanenitrile
CID 243414
1-(Methoxymethyl)-1H-benzotriazole
CID 542390
1-Propargyl-1H-benzotriazole
CID 727001
1-(Chloromethyl)-1H-benzotriazole
CID 3328222

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylbenzotriazole?
The IUPAC name of 1-piperidin-4-ylbenzotriazole (CID 2735464) is 1-piperidin-4-ylbenzotriazole.
What is the SMILES notation for 1-piperidin-4-ylbenzotriazole?
The canonical SMILES for 1-piperidin-4-ylbenzotriazole is c1ccc2c(c1)nnn2C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylbenzotriazole?
The InChIKey is SIAVYRCOEMDHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9/h1-4,9,12H,5-8H2.
What are the key properties of 1-piperidin-4-ylbenzotriazole?
1-piperidin-4-ylbenzotriazole has a molecular weight of 202.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylbenzotriazole is sourced from PubChem (CID 2735464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).