1-(pyridin-2-ylmethyl)piperazine;hydrochloride

C10H16ClN3 — CID 24761072

IUPAC1-(pyridin-2-ylmethyl)piperazine;hydrochloride
SMILESCl.c1ccc(CN2CCNCC2)nc1
InChIInChI=1S/C10H15N3.ClH/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13;/h1-4,11H,5-9H2;1H
InChIKeyUJVJPFLFHOIGIS-UHFFFAOYSA-N
MW213.71 g/mol
LogP0.91
Rot. Bonds2

About 1-(pyridin-2-ylmethyl)piperazine;hydrochloride

1-(pyridin-2-ylmethyl)piperazine;hydrochloride (PubChem CID 24761072) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)piperazine;hydrochloride
PubChem CID24761072
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name1-(pyridin-2-ylmethyl)piperazine;hydrochloride
SMILESCl.c1ccc(CN2CCNCC2)nc1
InChIInChI=1S/C10H15N3.ClH/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13;/h1-4,11H,5-9H2;1H
InChIKeyUJVJPFLFHOIGIS-UHFFFAOYSA-N
XLogP0.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2'-Bipyridine
CID 1474
Pralidoxime Chloride
CID 135445761
2-Methylpyridine
CID 7975
Diquat
CID 6795
2-Vinylpyridine
CID 7521
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
2-Propylpyridine
CID 69320
2-Pentylpyridine
CID 16800
3-Aminopyridine
CID 10009
2-Pyridinemethanamine
CID 19509
2-Ethylpyridine
CID 7523

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 1-(pyridin-2-ylmethyl)piperazine;hydrochloride (CID 24761072) is 1-(pyridin-2-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 1-(pyridin-2-ylmethyl)piperazine;hydrochloride is Cl.c1ccc(CN2CCNCC2)nc1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)piperazine;hydrochloride?
The InChIKey is UJVJPFLFHOIGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.ClH/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13;/h1-4,11H,5-9H2;1H.
What are the key properties of 1-(pyridin-2-ylmethyl)piperazine;hydrochloride?
1-(pyridin-2-ylmethyl)piperazine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 24761072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).