2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol

C19H24N2O — CID 783341

IUPAC2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol
SMILESCc1ccc(C)c(N2CCN(Cc3ccccc3O)CC2)c1
InChIInChI=1S/C19H24N2O/c1-15-7-8-16(2)18(13-15)21-11-9-20(10-12-21)14-17-5-3-4-6-19(17)22/h3-8,13,22H,9-12,14H2,1-2H3
InChIKeyHNNZJXUFCPSGMH-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.33
Rot. Bonds3

About 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol

2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol (PubChem CID 783341) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol
PubChem CID783341
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol
SMILESCc1ccc(C)c(N2CCN(Cc3ccccc3O)CC2)c1
InChIInChI=1S/C19H24N2O/c1-15-7-8-16(2)18(13-15)21-11-9-20(10-12-21)14-17-5-3-4-6-19(17)22/h3-8,13,22H,9-12,14H2,1-2H3
InChIKeyHNNZJXUFCPSGMH-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-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol (CID 783341) is 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol is Cc1ccc(C)c(N2CCN(Cc3ccccc3O)CC2)c1.
What is the InChIKey of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol?
The InChIKey is HNNZJXUFCPSGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-7-8-16(2)18(13-15)21-11-9-20(10-12-21)14-17-5-3-4-6-19(17)22/h3-8,13,22H,9-12,14H2,1-2H3.
What are the key properties of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol?
2-[[4-(2,5-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-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 783341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).