[2-(piperazin-1-ylmethyl)phenyl]methanol

C12H18N2O — CID 17086630

IUPAC[2-(piperazin-1-ylmethyl)phenyl]methanol
SMILESOCc1ccccc1CN1CCNCC1
InChIInChI=1S/C12H18N2O/c15-10-12-4-2-1-3-11(12)9-14-7-5-13-6-8-14/h1-4,13,15H,5-10H2
InChIKeyWYNPUVLLUYJROJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.58
Rot. Bonds3

About [2-(piperazin-1-ylmethyl)phenyl]methanol

[2-(piperazin-1-ylmethyl)phenyl]methanol (PubChem CID 17086630) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [2-(piperazin-1-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(piperazin-1-ylmethyl)phenyl]methanol
PubChem CID17086630
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[2-(piperazin-1-ylmethyl)phenyl]methanol
SMILESOCc1ccccc1CN1CCNCC1
InChIInChI=1S/C12H18N2O/c15-10-12-4-2-1-3-11(12)9-14-7-5-13-6-8-14/h1-4,13,15H,5-10H2
InChIKeyWYNPUVLLUYJROJ-UHFFFAOYSA-N
XLogP0.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(piperazin-1-ylmethyl)phenyl]methanol?
The IUPAC name of [2-(piperazin-1-ylmethyl)phenyl]methanol (CID 17086630) is [2-(piperazin-1-ylmethyl)phenyl]methanol.
What is the SMILES notation for [2-(piperazin-1-ylmethyl)phenyl]methanol?
The canonical SMILES for [2-(piperazin-1-ylmethyl)phenyl]methanol is OCc1ccccc1CN1CCNCC1.
What is the InChIKey of [2-(piperazin-1-ylmethyl)phenyl]methanol?
The InChIKey is WYNPUVLLUYJROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-10-12-4-2-1-3-11(12)9-14-7-5-13-6-8-14/h1-4,13,15H,5-10H2.
What are the key properties of [2-(piperazin-1-ylmethyl)phenyl]methanol?
[2-(piperazin-1-ylmethyl)phenyl]methanol has a molecular weight of 206.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperazin-1-ylmethyl)phenyl]methanol is sourced from PubChem (CID 17086630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).