4-(5-methyltriazol-1-yl)piperidine;dihydrochloride

C8H16Cl2N4 — CID 154856451

IUPAC4-(5-methyltriazol-1-yl)piperidine;dihydrochloride
SMILESCc1cnnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-7-6-10-11-12(7)8-2-4-9-5-3-8;;/h6,8-9H,2-5H2,1H3;2*1H
InChIKeyDFCJRBVJFRLFFJ-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.35
Rot. Bonds1

About 4-(5-methyltriazol-1-yl)piperidine;dihydrochloride

4-(5-methyltriazol-1-yl)piperidine;dihydrochloride (PubChem CID 154856451) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is 4-(5-methyltriazol-1-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(5-methyltriazol-1-yl)piperidine;dihydrochloride
PubChem CID154856451
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC Name4-(5-methyltriazol-1-yl)piperidine;dihydrochloride
SMILESCc1cnnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-7-6-10-11-12(7)8-2-4-9-5-3-8;;/h6,8-9H,2-5H2,1H3;2*1H
InChIKeyDFCJRBVJFRLFFJ-UHFFFAOYSA-N
XLogP1.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyltriazol-1-yl)piperidine;dihydrochloride?
The IUPAC name of 4-(5-methyltriazol-1-yl)piperidine;dihydrochloride (CID 154856451) is 4-(5-methyltriazol-1-yl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(5-methyltriazol-1-yl)piperidine;dihydrochloride?
The canonical SMILES for 4-(5-methyltriazol-1-yl)piperidine;dihydrochloride is Cc1cnnn1C1CCNCC1.Cl.Cl.
What is the InChIKey of 4-(5-methyltriazol-1-yl)piperidine;dihydrochloride?
The InChIKey is DFCJRBVJFRLFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c1-7-6-10-11-12(7)8-2-4-9-5-3-8;;/h6,8-9H,2-5H2,1H3;2*1H.
What are the key properties of 4-(5-methyltriazol-1-yl)piperidine;dihydrochloride?
4-(5-methyltriazol-1-yl)piperidine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyltriazol-1-yl)piperidine;dihydrochloride is sourced from PubChem (CID 154856451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).