2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride

C13H22ClN3 — CID 120906169

IUPAC2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
SMILESCc1ccc(CN2CC(C)NCC2C)nc1.Cl
InChIInChI=1S/C13H21N3.ClH/c1-10-4-5-13(15-6-10)9-16-8-11(2)14-7-12(16)3;/h4-6,11-12,14H,7-9H2,1-3H3;1H
InChIKeyNHWKGARCLQHUEW-UHFFFAOYSA-N
MW255.79 g/mol
LogP1.99
Rot. Bonds2

About 2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride

2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride (PubChem CID 120906169) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
PubChem CID120906169
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
SMILESCc1ccc(CN2CC(C)NCC2C)nc1.Cl
InChIInChI=1S/C13H21N3.ClH/c1-10-4-5-13(15-6-10)9-16-8-11(2)14-7-12(16)3;/h4-6,11-12,14H,7-9H2,1-3H3;1H
InChIKeyNHWKGARCLQHUEW-UHFFFAOYSA-N
XLogP1.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride?
The IUPAC name of 2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride (CID 120906169) is 2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride is Cc1ccc(CN2CC(C)NCC2C)nc1.Cl.
What is the InChIKey of 2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride?
The InChIKey is NHWKGARCLQHUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.ClH/c1-10-4-5-13(15-6-10)9-16-8-11(2)14-7-12(16)3;/h4-6,11-12,14H,7-9H2,1-3H3;1H.
What are the key properties of 2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride?
2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120906169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).