(4-methyl-3-piperazin-1-ylphenyl)methanol

C12H18N2O — CID 84779191

IUPAC(4-methyl-3-piperazin-1-ylphenyl)methanol
SMILESCc1ccc(CO)cc1N1CCNCC1
InChIInChI=1S/C12H18N2O/c1-10-2-3-11(9-15)8-12(10)14-6-4-13-5-7-14/h2-3,8,13,15H,4-7,9H2,1H3
InChIKeySSEDUPIEEUJPJP-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.90
Rot. Bonds2

About (4-methyl-3-piperazin-1-ylphenyl)methanol

(4-methyl-3-piperazin-1-ylphenyl)methanol (PubChem CID 84779191) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (4-methyl-3-piperazin-1-ylphenyl)methanol.

Molecular Properties

Compound Name(4-methyl-3-piperazin-1-ylphenyl)methanol
PubChem CID84779191
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(4-methyl-3-piperazin-1-ylphenyl)methanol
SMILESCc1ccc(CO)cc1N1CCNCC1
InChIInChI=1S/C12H18N2O/c1-10-2-3-11(9-15)8-12(10)14-6-4-13-5-7-14/h2-3,8,13,15H,4-7,9H2,1H3
InChIKeySSEDUPIEEUJPJP-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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-piperazin-1-ylphenyl)methanol?
The IUPAC name of (4-methyl-3-piperazin-1-ylphenyl)methanol (CID 84779191) is (4-methyl-3-piperazin-1-ylphenyl)methanol.
What is the SMILES notation for (4-methyl-3-piperazin-1-ylphenyl)methanol?
The canonical SMILES for (4-methyl-3-piperazin-1-ylphenyl)methanol is Cc1ccc(CO)cc1N1CCNCC1.
What is the InChIKey of (4-methyl-3-piperazin-1-ylphenyl)methanol?
The InChIKey is SSEDUPIEEUJPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-2-3-11(9-15)8-12(10)14-6-4-13-5-7-14/h2-3,8,13,15H,4-7,9H2,1H3.
What are the key properties of (4-methyl-3-piperazin-1-ylphenyl)methanol?
(4-methyl-3-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 (4-methyl-3-piperazin-1-ylphenyl)methanol is sourced from PubChem (CID 84779191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).