[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol

C14H22N2O — CID 63608891

IUPAC[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol
SMILESCCN1CCN(c2ccccc2CO)CC1C
InChIInChI=1S/C14H22N2O/c1-3-15-8-9-16(10-12(15)2)14-7-5-4-6-13(14)11-17/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyYRMXZEILDNSFDM-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.71
Rot. Bonds3

About [2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol

[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol (PubChem CID 63608891) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol
PubChem CID63608891
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol
SMILESCCN1CCN(c2ccccc2CO)CC1C
InChIInChI=1S/C14H22N2O/c1-3-15-8-9-16(10-12(15)2)14-7-5-4-6-13(14)11-17/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyYRMXZEILDNSFDM-UHFFFAOYSA-N
XLogP1.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol (CID 63608891) is [2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol is CCN1CCN(c2ccccc2CO)CC1C.
What is the InChIKey of [2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol?
The InChIKey is YRMXZEILDNSFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-15-8-9-16(10-12(15)2)14-7-5-4-6-13(14)11-17/h4-7,12,17H,3,8-11H2,1-2H3.
What are the key properties of [2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol?
[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 63608891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).