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

C12H18N2O — CID 768414

IUPAC2-[(4-methylpiperazin-1-yl)methyl]phenol
SMILESCN1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12(11)15/h2-5,15H,6-10H2,1H3
InChIKeyOBHRMGXZZMKBMC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.14
Rot. Bonds2

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

2-[(4-methylpiperazin-1-yl)methyl]phenol (PubChem CID 768414) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]phenol
PubChem CID768414
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]phenol
SMILESCN1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12(11)15/h2-5,15H,6-10H2,1H3
InChIKeyOBHRMGXZZMKBMC-UHFFFAOYSA-N
XLogP1.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]phenol (CID 768414) is 2-[(4-methylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]phenol is CN1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]phenol?
The InChIKey is OBHRMGXZZMKBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12(11)15/h2-5,15H,6-10H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]phenol?
2-[(4-methylpiperazin-1-yl)methyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 768414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).