2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol

C13H20N2O — CID 115903802

IUPAC2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol
SMILESCc1cccc(CN2CCNC(C)C2)c1O
InChIInChI=1S/C13H20N2O/c1-10-4-3-5-12(13(10)16)9-15-7-6-14-11(2)8-15/h3-5,11,14,16H,6-9H2,1-2H3
InChIKeyQPMAAKRBXZQNEA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.49
Rot. Bonds2

About 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol

2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol (PubChem CID 115903802) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol
PubChem CID115903802
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol
SMILESCc1cccc(CN2CCNC(C)C2)c1O
InChIInChI=1S/C13H20N2O/c1-10-4-3-5-12(13(10)16)9-15-7-6-14-11(2)8-15/h3-5,11,14,16H,6-9H2,1-2H3
InChIKeyQPMAAKRBXZQNEA-UHFFFAOYSA-N
XLogP1.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol (CID 115903802) is 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol is Cc1cccc(CN2CCNC(C)C2)c1O.
What is the InChIKey of 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol?
The InChIKey is QPMAAKRBXZQNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-3-5-12(13(10)16)9-15-7-6-14-11(2)8-15/h3-5,11,14,16H,6-9H2,1-2H3.
What are the key properties of 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol?
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol has a molecular weight of 220.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 115903802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).