1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine

C15H24N2O — CID 120839930

IUPAC1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine
SMILESCOc1cc(CN2CC(C)NC(C)C2)ccc1C
InChIInChI=1S/C15H24N2O/c1-11-5-6-14(7-15(11)18-4)10-17-8-12(2)16-13(3)9-17/h5-7,12-13,16H,8-10H2,1-4H3
InChIKeyCFKMJVFRMKWXFX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.19
Rot. Bonds3

About 1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine

1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine (PubChem CID 120839930) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine
PubChem CID120839930
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine
SMILESCOc1cc(CN2CC(C)NC(C)C2)ccc1C
InChIInChI=1S/C15H24N2O/c1-11-5-6-14(7-15(11)18-4)10-17-8-12(2)16-13(3)9-17/h5-7,12-13,16H,8-10H2,1-4H3
InChIKeyCFKMJVFRMKWXFX-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylpiperazine
CID 63862972
1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863142
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 120836214
(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863865
1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923924
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride
CID 119924052
(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510109
1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine
CID 63863135
(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937270

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine (CID 120839930) is 1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine is COc1cc(CN2CC(C)NC(C)C2)ccc1C.
What is the InChIKey of 1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine?
The InChIKey is CFKMJVFRMKWXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-6-14(7-15(11)18-4)10-17-8-12(2)16-13(3)9-17/h5-7,12-13,16H,8-10H2,1-4H3.
What are the key properties of 1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine?
1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 120839930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).