3-methyl-1-[(3-methylphenyl)methyl]piperazine

C13H20N2 — CID 64834386

IUPAC3-methyl-1-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCNC(C)C2)c1
InChIInChI=1S/C13H20N2/c1-11-4-3-5-13(8-11)10-15-7-6-14-12(2)9-15/h3-5,8,12,14H,6-7,9-10H2,1-2H3
InChIKeyPFSWKCDAMXJVJF-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.79
Rot. Bonds2

About 3-methyl-1-[(3-methylphenyl)methyl]piperazine

3-methyl-1-[(3-methylphenyl)methyl]piperazine (PubChem CID 64834386) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-methyl-1-[(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[(3-methylphenyl)methyl]piperazine
PubChem CID64834386
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-methyl-1-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCNC(C)C2)c1
InChIInChI=1S/C13H20N2/c1-11-4-3-5-13(8-11)10-15-7-6-14-12(2)9-15/h3-5,8,12,14H,6-7,9-10H2,1-2H3
InChIKeyPFSWKCDAMXJVJF-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane
CID 64871903
1-[(3-bromophenyl)methyl]-3-methyl-1,4-diazepane
CID 64859026
4-bromo-3-methyl-1-[(3-methylphenyl)methyl]piperidine
CID 114682467
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816
2-methyl-6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole
CID 120845855
2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol
CID 65417223
1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine
CID 83811097

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methylphenyl)methyl]piperazine?
The IUPAC name of 3-methyl-1-[(3-methylphenyl)methyl]piperazine (CID 64834386) is 3-methyl-1-[(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[(3-methylphenyl)methyl]piperazine?
The canonical SMILES for 3-methyl-1-[(3-methylphenyl)methyl]piperazine is Cc1cccc(CN2CCNC(C)C2)c1.
What is the InChIKey of 3-methyl-1-[(3-methylphenyl)methyl]piperazine?
The InChIKey is PFSWKCDAMXJVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-3-5-13(8-11)10-15-7-6-14-12(2)9-15/h3-5,8,12,14H,6-7,9-10H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-methylphenyl)methyl]piperazine?
3-methyl-1-[(3-methylphenyl)methyl]piperazine has a molecular weight of 204.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 64834386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).