[2-(4-methylpiperazin-1-yl)phenyl]methanol

C12H18N2O — CID 2795567

IUPAC[2-(4-methylpiperazin-1-yl)phenyl]methanol
SMILESCN1CCN(c2ccccc2CO)CC1
InChIInChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,15H,6-10H2,1H3
InChIKeyTWPYBKBPHCMUIS-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.93
Rot. Bonds2

About [2-(4-methylpiperazin-1-yl)phenyl]methanol

[2-(4-methylpiperazin-1-yl)phenyl]methanol (PubChem CID 2795567) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [2-(4-methylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4-methylpiperazin-1-yl)phenyl]methanol
PubChem CID2795567
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[2-(4-methylpiperazin-1-yl)phenyl]methanol
SMILESCN1CCN(c2ccccc2CO)CC1
InChIInChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,15H,6-10H2,1H3
InChIKeyTWPYBKBPHCMUIS-UHFFFAOYSA-N
XLogP0.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [2-(4-methylpiperazin-1-yl)phenyl]methanol (CID 2795567) is [2-(4-methylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-(4-methylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [2-(4-methylpiperazin-1-yl)phenyl]methanol is CN1CCN(c2ccccc2CO)CC1.
What is the InChIKey of [2-(4-methylpiperazin-1-yl)phenyl]methanol?
The InChIKey is TWPYBKBPHCMUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,15H,6-10H2,1H3.
What are the key properties of [2-(4-methylpiperazin-1-yl)phenyl]methanol?
[2-(4-methylpiperazin-1-yl)phenyl]methanol has a molecular weight of 206.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 2795567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).