5-methyl-2-(piperazin-1-ylmethyl)phenol

C12H18N2O — CID 82610699

IUPAC5-methyl-2-(piperazin-1-ylmethyl)phenol
SMILESCc1ccc(CN2CCNCC2)c(O)c1
InChIInChI=1S/C12H18N2O/c1-10-2-3-11(12(15)8-10)9-14-6-4-13-5-7-14/h2-3,8,13,15H,4-7,9H2,1H3
InChIKeyBYYWIDDJMRIRMO-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.11
Rot. Bonds2

About 5-methyl-2-(piperazin-1-ylmethyl)phenol

5-methyl-2-(piperazin-1-ylmethyl)phenol (PubChem CID 82610699) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-methyl-2-(piperazin-1-ylmethyl)phenol.

Molecular Properties

Compound Name5-methyl-2-(piperazin-1-ylmethyl)phenol
PubChem CID82610699
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-methyl-2-(piperazin-1-ylmethyl)phenol
SMILESCc1ccc(CN2CCNCC2)c(O)c1
InChIInChI=1S/C12H18N2O/c1-10-2-3-11(12(15)8-10)9-14-6-4-13-5-7-14/h2-3,8,13,15H,4-7,9H2,1H3
InChIKeyBYYWIDDJMRIRMO-UHFFFAOYSA-N
XLogP1.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
4-(1,4-diazepan-1-ylmethyl)benzene-1,3-diol
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2-[5-methyl-2-(piperazin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 130455530
4-(piperazin-1-ylmethyl)benzene-1,2,3-triol
CID 12900434
4-(piperazin-1-ylmethyl)naphthalen-1-ol
CID 82263156
1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977
5-[5-methyl-2-(piperazin-1-ylmethyl)phenyl]pentanoic acid
CID 134509442
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[[4-methyl-2-(2H-tetrazol-5-yl)phenyl]methyl]piperazine
CID 159710709
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(piperazin-1-ylmethyl)phenol?
The IUPAC name of 5-methyl-2-(piperazin-1-ylmethyl)phenol (CID 82610699) is 5-methyl-2-(piperazin-1-ylmethyl)phenol.
What is the SMILES notation for 5-methyl-2-(piperazin-1-ylmethyl)phenol?
The canonical SMILES for 5-methyl-2-(piperazin-1-ylmethyl)phenol is Cc1ccc(CN2CCNCC2)c(O)c1.
What is the InChIKey of 5-methyl-2-(piperazin-1-ylmethyl)phenol?
The InChIKey is BYYWIDDJMRIRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-2-3-11(12(15)8-10)9-14-6-4-13-5-7-14/h2-3,8,13,15H,4-7,9H2,1H3.
What are the key properties of 5-methyl-2-(piperazin-1-ylmethyl)phenol?
5-methyl-2-(piperazin-1-ylmethyl)phenol has a molecular weight of 206.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(piperazin-1-ylmethyl)phenol is sourced from PubChem (CID 82610699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).