2-piperidin-1-ylbenzotriazole

C11H14N4 — CID 121220979

IUPAC2-piperidin-1-ylbenzotriazole
SMILESc1ccc2nn(N3CCCCC3)nc2c1
InChIInChI=1S/C11H14N4/c1-4-8-14(9-5-1)15-12-10-6-2-3-7-11(10)13-15/h2-3,6-7H,1,4-5,8-9H2
InChIKeyWROLSMDGCZFWNY-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.55
Rot. Bonds1

About 2-piperidin-1-ylbenzotriazole

2-piperidin-1-ylbenzotriazole (PubChem CID 121220979) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-piperidin-1-ylbenzotriazole.

Molecular Properties

Compound Name2-piperidin-1-ylbenzotriazole
PubChem CID121220979
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-piperidin-1-ylbenzotriazole
SMILESc1ccc2nn(N3CCCCC3)nc2c1
InChIInChI=1S/C11H14N4/c1-4-8-14(9-5-1)15-12-10-6-2-3-7-11(10)13-15/h2-3,6-7H,1,4-5,8-9H2
InChIKeyWROLSMDGCZFWNY-UHFFFAOYSA-N
XLogP1.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Benzotriazole
CID 7220
1-Aminobenzotriazole
CID 1367
1-Phenyl-1,2,3-benzotriazole
CID 136693
sodium 1H-benzotriazolide
CID 3517935
1-Chlorobenzotriazole
CID 88761
2H-1,2,3-Benzotriazol-2-amine
CID 295514
2-(1H-1,2,3-benzotriazol-1-yl)acetonitrile
CID 786302
3-(1H-benzotriazol-1-yl)propanenitrile
CID 243414
1-Ethylbenzotriazole
CID 27939
2-Methyl-1,2,3-benzotriazole
CID 85498
1-Propargyl-1H-benzotriazole
CID 727001
N-butylbenzotriazol-1-amine
CID 155560451

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylbenzotriazole?
The IUPAC name of 2-piperidin-1-ylbenzotriazole (CID 121220979) is 2-piperidin-1-ylbenzotriazole.
What is the SMILES notation for 2-piperidin-1-ylbenzotriazole?
The canonical SMILES for 2-piperidin-1-ylbenzotriazole is c1ccc2nn(N3CCCCC3)nc2c1.
What is the InChIKey of 2-piperidin-1-ylbenzotriazole?
The InChIKey is WROLSMDGCZFWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-4-8-14(9-5-1)15-12-10-6-2-3-7-11(10)13-15/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 2-piperidin-1-ylbenzotriazole?
2-piperidin-1-ylbenzotriazole has a molecular weight of 202.26 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylbenzotriazole is sourced from PubChem (CID 121220979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).