4-(triazol-1-ylmethyl)piperidine;hydrochloride

C8H15ClN4 — CID 71757090

IUPAC4-(triazol-1-ylmethyl)piperidine;hydrochloride
SMILESCl.c1cn(CC2CCNCC2)nn1
InChIInChI=1S/C8H14N4.ClH/c1-3-9-4-2-8(1)7-12-6-5-10-11-12;/h5-6,8-9H,1-4,7H2;1H
InChIKeyUVSZCXABWHAAPO-UHFFFAOYSA-N
MW202.69 g/mol
LogP0.70
Rot. Bonds2

About 4-(triazol-1-ylmethyl)piperidine;hydrochloride

4-(triazol-1-ylmethyl)piperidine;hydrochloride (PubChem CID 71757090) has the molecular formula C8H15ClN4 and a molecular weight of 202.69 g/mol. Its IUPAC name is 4-(triazol-1-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(triazol-1-ylmethyl)piperidine;hydrochloride
PubChem CID71757090
Molecular FormulaC8H15ClN4
Molecular Weight202.69 g/mol
Exact Mass202.10
IUPAC Name4-(triazol-1-ylmethyl)piperidine;hydrochloride
SMILESCl.c1cn(CC2CCNCC2)nn1
InChIInChI=1S/C8H14N4.ClH/c1-3-9-4-2-8(1)7-12-6-5-10-11-12;/h5-6,8-9H,1-4,7H2;1H
InChIKeyUVSZCXABWHAAPO-UHFFFAOYSA-N
XLogP0.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(triazol-1-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-(triazol-1-ylmethyl)piperidine;hydrochloride (CID 71757090) is 4-(triazol-1-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(triazol-1-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(triazol-1-ylmethyl)piperidine;hydrochloride is Cl.c1cn(CC2CCNCC2)nn1.
What is the InChIKey of 4-(triazol-1-ylmethyl)piperidine;hydrochloride?
The InChIKey is UVSZCXABWHAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.ClH/c1-3-9-4-2-8(1)7-12-6-5-10-11-12;/h5-6,8-9H,1-4,7H2;1H.
What are the key properties of 4-(triazol-1-ylmethyl)piperidine;hydrochloride?
4-(triazol-1-ylmethyl)piperidine;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-1-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 71757090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).