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

C11H20Cl2N4 — CID 47003129

IUPAC1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole;dihydrochloride
SMILESC1CCc2c(nnn2C2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C11H18N4.2ClH/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9;;/h9,12H,1-8H2;2*1H
InChIKeyNHWJSOHDBISKEI-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.92
Rot. Bonds1

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

1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole;dihydrochloride (PubChem CID 47003129) has the molecular formula C11H20Cl2N4 and a molecular weight of 279.22 g/mol. Its IUPAC name is 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole;dihydrochloride
PubChem CID47003129
Molecular FormulaC11H20Cl2N4
Molecular Weight279.22 g/mol
Exact Mass278.11
IUPAC Name1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole;dihydrochloride
SMILESC1CCc2c(nnn2C2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C11H18N4.2ClH/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9;;/h9,12H,1-8H2;2*1H
InChIKeyNHWJSOHDBISKEI-UHFFFAOYSA-N
XLogP1.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.92
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;dihydrochloride?
The IUPAC name of 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole;dihydrochloride (CID 47003129) is 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole;dihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole;dihydrochloride is C1CCc2c(nnn2C2CCNCC2)C1.Cl.Cl.
What is the InChIKey of 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole;dihydrochloride?
The InChIKey is NHWJSOHDBISKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4.2ClH/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9;;/h9,12H,1-8H2;2*1H.
What are the key properties of 1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole;dihydrochloride?
1-piperidin-4-yl-4,5,6,7-tetrahydrobenzotriazole;dihydrochloride has a molecular weight of 279.22 g/mol, XLogP of 1.92, 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;dihydrochloride is sourced from PubChem (CID 47003129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).