1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole

C11H18N4 — CID 47003130

IUPAC1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole
SMILESC1CCc2c(nnn2C2CCNCC2)C1
InChIInChI=1S/C11H18N4/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9/h9,12H,1-8H2
InChIKeyLEYIPUSIQDUURG-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.08
Rot. Bonds1

About 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole

1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole (PubChem CID 47003130) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole.

Molecular Properties

Compound Name1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole
PubChem CID47003130
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole
SMILESC1CCc2c(nnn2C2CCNCC2)C1
InChIInChI=1S/C11H18N4/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9/h9,12H,1-8H2
InChIKeyLEYIPUSIQDUURG-UHFFFAOYSA-N
XLogP1.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole?
The IUPAC name of 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole (CID 47003130) is 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole.
What is the SMILES notation for 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole?
The canonical SMILES for 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole is C1CCc2c(nnn2C2CCNCC2)C1.
What is the InChIKey of 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole?
The InChIKey is LEYIPUSIQDUURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9/h9,12H,1-8H2.
What are the key properties of 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole?
1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole has a molecular weight of 206.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole is sourced from PubChem (CID 47003130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).