(2-methyl-5-piperazin-1-ylphenyl)methanol

C12H18N2O — CID 84779190

IUPAC(2-methyl-5-piperazin-1-ylphenyl)methanol
SMILESCc1ccc(N2CCNCC2)cc1CO
InChIInChI=1S/C12H18N2O/c1-10-2-3-12(8-11(10)9-15)14-6-4-13-5-7-14/h2-3,8,13,15H,4-7,9H2,1H3
InChIKeyOYYGSWPMKZLXRL-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.90
Rot. Bonds2

About (2-methyl-5-piperazin-1-ylphenyl)methanol

(2-methyl-5-piperazin-1-ylphenyl)methanol (PubChem CID 84779190) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2-methyl-5-piperazin-1-ylphenyl)methanol.

Molecular Properties

Compound Name(2-methyl-5-piperazin-1-ylphenyl)methanol
PubChem CID84779190
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2-methyl-5-piperazin-1-ylphenyl)methanol
SMILESCc1ccc(N2CCNCC2)cc1CO
InChIInChI=1S/C12H18N2O/c1-10-2-3-12(8-11(10)9-15)14-6-4-13-5-7-14/h2-3,8,13,15H,4-7,9H2,1H3
InChIKeyOYYGSWPMKZLXRL-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-piperazin-1-ylphenyl)methanol?
The IUPAC name of (2-methyl-5-piperazin-1-ylphenyl)methanol (CID 84779190) is (2-methyl-5-piperazin-1-ylphenyl)methanol.
What is the SMILES notation for (2-methyl-5-piperazin-1-ylphenyl)methanol?
The canonical SMILES for (2-methyl-5-piperazin-1-ylphenyl)methanol is Cc1ccc(N2CCNCC2)cc1CO.
What is the InChIKey of (2-methyl-5-piperazin-1-ylphenyl)methanol?
The InChIKey is OYYGSWPMKZLXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-2-3-12(8-11(10)9-15)14-6-4-13-5-7-14/h2-3,8,13,15H,4-7,9H2,1H3.
What are the key properties of (2-methyl-5-piperazin-1-ylphenyl)methanol?
(2-methyl-5-piperazin-1-ylphenyl)methanol has a molecular weight of 206.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-piperazin-1-ylphenyl)methanol is sourced from PubChem (CID 84779190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).