6-chloro-1-piperidin-4-ylbenzotriazole

C11H13ClN4 — CID 11149076

IUPAC6-chloro-1-piperidin-4-ylbenzotriazole
SMILESClc1ccc2nnn(C3CCNCC3)c2c1
InChIInChI=1S/C11H13ClN4/c12-8-1-2-10-11(7-8)16(15-14-10)9-3-5-13-6-4-9/h1-2,7,9,13H,3-6H2
InChIKeyWHYQYQWCTNDLFS-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.01
Rot. Bonds1

About 6-chloro-1-piperidin-4-ylbenzotriazole

6-chloro-1-piperidin-4-ylbenzotriazole (PubChem CID 11149076) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 6-chloro-1-piperidin-4-ylbenzotriazole.

Molecular Properties

Compound Name6-chloro-1-piperidin-4-ylbenzotriazole
PubChem CID11149076
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name6-chloro-1-piperidin-4-ylbenzotriazole
SMILESClc1ccc2nnn(C3CCNCC3)c2c1
InChIInChI=1S/C11H13ClN4/c12-8-1-2-10-11(7-8)16(15-14-10)9-3-5-13-6-4-9/h1-2,7,9,13H,3-6H2
InChIKeyWHYQYQWCTNDLFS-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-piperidin-4-ylbenzotriazole?
The IUPAC name of 6-chloro-1-piperidin-4-ylbenzotriazole (CID 11149076) is 6-chloro-1-piperidin-4-ylbenzotriazole.
What is the SMILES notation for 6-chloro-1-piperidin-4-ylbenzotriazole?
The canonical SMILES for 6-chloro-1-piperidin-4-ylbenzotriazole is Clc1ccc2nnn(C3CCNCC3)c2c1.
What is the InChIKey of 6-chloro-1-piperidin-4-ylbenzotriazole?
The InChIKey is WHYQYQWCTNDLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c12-8-1-2-10-11(7-8)16(15-14-10)9-3-5-13-6-4-9/h1-2,7,9,13H,3-6H2.
What are the key properties of 6-chloro-1-piperidin-4-ylbenzotriazole?
6-chloro-1-piperidin-4-ylbenzotriazole has a molecular weight of 236.71 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-piperidin-4-ylbenzotriazole is sourced from PubChem (CID 11149076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).