2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride

C8H16Cl2N4 — CID 155978216

IUPAC2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride
SMILESCl.Cl.c1ncn(CC2CCCCN2)n1
InChIInChI=1S/C8H14N4.2ClH/c1-2-4-10-8(3-1)5-12-7-9-6-11-12;;/h6-8,10H,1-5H2;2*1H
InChIKeyVBVHSDXDKYKQMV-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.26
Rot. Bonds2

About 2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride

2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride (PubChem CID 155978216) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride
PubChem CID155978216
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC Name2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride
SMILESCl.Cl.c1ncn(CC2CCCCN2)n1
InChIInChI=1S/C8H14N4.2ClH/c1-2-4-10-8(3-1)5-12-7-9-6-11-12;;/h6-8,10H,1-5H2;2*1H
InChIKeyVBVHSDXDKYKQMV-UHFFFAOYSA-N
XLogP1.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride?
The IUPAC name of 2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride (CID 155978216) is 2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride.
What is the SMILES notation for 2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride?
The canonical SMILES for 2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride is Cl.Cl.c1ncn(CC2CCCCN2)n1.
What is the InChIKey of 2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride?
The InChIKey is VBVHSDXDKYKQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c1-2-4-10-8(3-1)5-12-7-9-6-11-12;;/h6-8,10H,1-5H2;2*1H.
What are the key properties of 2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride?
2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-ylmethyl)piperidine;dihydrochloride is sourced from PubChem (CID 155978216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).