4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol

C13H21N3O — CID 80505171

IUPAC4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
SMILESCN1CCN(Cc2ccc(O)cc2)C(CN)C1
InChIInChI=1S/C13H21N3O/c1-15-6-7-16(12(8-14)10-15)9-11-2-4-13(17)5-3-11/h2-5,12,17H,6-10,14H2,1H3
InChIKeyCUWMUKBKUOOMIJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.47
Rot. Bonds3

About 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol

4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol (PubChem CID 80505171) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
PubChem CID80505171
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
SMILESCN1CCN(Cc2ccc(O)cc2)C(CN)C1
InChIInChI=1S/C13H21N3O/c1-15-6-7-16(12(8-14)10-15)9-11-2-4-13(17)5-3-11/h2-5,12,17H,6-10,14H2,1H3
InChIKeyCUWMUKBKUOOMIJ-UHFFFAOYSA-N
XLogP0.47
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine
CID 80505367
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine
CID 80504637
methyl 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]benzoate
CID 80505658
2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505653
[1-[(4-chloro-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80504679
[1-[(4-bromo-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 81436014
[1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80506903
2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]-3-chlorophenol
CID 113277028
[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
CID 105379017
[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
CID 80504294
2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide
CID 69355303
3-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]benzonitrile
CID 80505133

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol?
The IUPAC name of 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol (CID 80505171) is 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol is CN1CCN(Cc2ccc(O)cc2)C(CN)C1.
What is the InChIKey of 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol?
The InChIKey is CUWMUKBKUOOMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-6-7-16(12(8-14)10-15)9-11-2-4-13(17)5-3-11/h2-5,12,17H,6-10,14H2,1H3.
What are the key properties of 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol?
4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol is sourced from PubChem (CID 80505171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).