2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride

C19H26ClN3O — CID 120905953

IUPAC2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCC1CN(Cc2cccc(OCc3ccccn3)c2)C(C)CN1.Cl
InChIInChI=1S/C19H25N3O.ClH/c1-15-12-22(16(2)11-21-15)13-17-6-5-8-19(10-17)23-14-18-7-3-4-9-20-18;/h3-10,15-16,21H,11-14H2,1-2H3;1H
InChIKeyMSZPMNIBQAUFTA-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.26
Rot. Bonds5

About 2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride

2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride (PubChem CID 120905953) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is 2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
PubChem CID120905953
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCC1CN(Cc2cccc(OCc3ccccn3)c2)C(C)CN1.Cl
InChIInChI=1S/C19H25N3O.ClH/c1-15-12-22(16(2)11-21-15)13-17-6-5-8-19(10-17)23-14-18-7-3-4-9-20-18;/h3-10,15-16,21H,11-14H2,1-2H3;1H
InChIKeyMSZPMNIBQAUFTA-UHFFFAOYSA-N
XLogP3.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 16676298
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine
CID 120906410
(2S,4S)-4-methoxy-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979882
2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 77097732
(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 162420387
1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 91843758
4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 56872361
2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 146037998
2-[4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 50972913
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride (CID 120905953) is 2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride is CC1CN(Cc2cccc(OCc3ccccn3)c2)C(C)CN1.Cl.
What is the InChIKey of 2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is MSZPMNIBQAUFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.ClH/c1-15-12-22(16(2)11-21-15)13-17-6-5-8-19(10-17)23-14-18-7-3-4-9-20-18;/h3-10,15-16,21H,11-14H2,1-2H3;1H.
What are the key properties of 2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride?
2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 120905953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).