2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol

C19H24N2O — CID 782968

IUPAC2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol
SMILESCc1cccc(N2CCN(Cc3ccccc3O)CC2)c1C
InChIInChI=1S/C19H24N2O/c1-15-6-5-8-18(16(15)2)21-12-10-20(11-13-21)14-17-7-3-4-9-19(17)22/h3-9,22H,10-14H2,1-2H3
InChIKeyXJFRZWWGJNGESB-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.33
Rot. Bonds3

About 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol

2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol (PubChem CID 782968) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol
PubChem CID782968
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol
SMILESCc1cccc(N2CCN(Cc3ccccc3O)CC2)c1C
InChIInChI=1S/C19H24N2O/c1-15-6-5-8-18(16(15)2)21-12-10-20(11-13-21)14-17-7-3-4-9-19(17)22/h3-9,22H,10-14H2,1-2H3
InChIKeyXJFRZWWGJNGESB-UHFFFAOYSA-N
XLogP3.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.33
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-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol (CID 782968) is 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol is Cc1cccc(N2CCN(Cc3ccccc3O)CC2)c1C.
What is the InChIKey of 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol?
The InChIKey is XJFRZWWGJNGESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-6-5-8-18(16(15)2)21-12-10-20(11-13-21)14-17-7-3-4-9-19(17)22/h3-9,22H,10-14H2,1-2H3.
What are the key properties of 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol?
2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol has a molecular weight of 296.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 782968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).