2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol

C15H25N3O2 — CID 63896856

IUPAC2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCC2CN(C)CCN2C)c(O)c1
InChIInChI=1S/C15H25N3O2/c1-17-6-7-18(2)13(11-17)10-16-9-12-4-5-14(20-3)8-15(12)19/h4-5,8,13,16,19H,6-7,9-11H2,1-3H3
InChIKeyCAFRYVXOULQDMI-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.74
Rot. Bonds5

About 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol

2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol (PubChem CID 63896856) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol
PubChem CID63896856
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCC2CN(C)CCN2C)c(O)c1
InChIInChI=1S/C15H25N3O2/c1-17-6-7-18(2)13(11-17)10-16-9-12-4-5-14(20-3)8-15(12)19/h4-5,8,13,16,19H,6-7,9-11H2,1-3H3
InChIKeyCAFRYVXOULQDMI-UHFFFAOYSA-N
XLogP0.74
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113229747
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 61264001
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 63896870
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
N-[(2,5-dimethylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63899121
2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol
CID 63896297
2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
CID 115639474
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 63898562

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol (CID 63896856) is 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol is COc1ccc(CNCC2CN(C)CCN2C)c(O)c1.
What is the InChIKey of 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol?
The InChIKey is CAFRYVXOULQDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17-6-7-18(2)13(11-17)10-16-9-12-4-5-14(20-3)8-15(12)19/h4-5,8,13,16,19H,6-7,9-11H2,1-3H3.
What are the key properties of 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol?
2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol has a molecular weight of 279.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol is sourced from PubChem (CID 63896856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).