4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol

C15H25N3O — CID 63325401

IUPAC4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
SMILESCc1ccc(O)c(CN(C)CCN2CCNCC2)c1
InChIInChI=1S/C15H25N3O/c1-13-3-4-15(19)14(11-13)12-17(2)9-10-18-7-5-16-6-8-18/h3-4,11,16,19H,5-10,12H2,1-2H3
InChIKeyOPRLDXFBTYHMTN-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.04
Rot. Bonds5

About 4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol

4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol (PubChem CID 63325401) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
PubChem CID63325401
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
SMILESCc1ccc(O)c(CN(C)CCN2CCNCC2)c1
InChIInChI=1S/C15H25N3O/c1-13-3-4-15(19)14(11-13)12-17(2)9-10-18-7-5-16-6-8-18/h3-4,11,16,19H,5-10,12H2,1-2H3
InChIKeyOPRLDXFBTYHMTN-UHFFFAOYSA-N
XLogP1.04
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
4-bromo-2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979704
N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 66158239
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 62833835
4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide
CID 63265639
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
CID 55121020
N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 63265575
3-fluoro-4-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 63265350
4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
CID 82976648
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
2-[[3-aminopropyl(methyl)amino]methyl]-4-methylphenol
CID 115318694

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol (CID 63325401) is 4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol is Cc1ccc(O)c(CN(C)CCN2CCNCC2)c1.
What is the InChIKey of 4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol?
The InChIKey is OPRLDXFBTYHMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13-3-4-15(19)14(11-13)12-17(2)9-10-18-7-5-16-6-8-18/h3-4,11,16,19H,5-10,12H2,1-2H3.
What are the key properties of 4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol?
4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol is sourced from PubChem (CID 63325401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).