3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol

C13H20N2O2 — CID 82187897

IUPAC3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
SMILESOCCN1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C13H20N2O2/c16-9-8-14-4-6-15(7-5-14)11-12-2-1-3-13(17)10-12/h1-3,10,16-17H,4-9,11H2
InChIKeyAFEFIJPINFGICI-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.50
Rot. Bonds4

About 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol

3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol (PubChem CID 82187897) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
PubChem CID82187897
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
SMILESOCCN1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C13H20N2O2/c16-9-8-14-4-6-15(7-5-14)11-12-2-1-3-13(17)10-12/h1-3,10,16-17H,4-9,11H2
InChIKeyAFEFIJPINFGICI-UHFFFAOYSA-N
XLogP0.50
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2-bromoethyl)piperazin-1-yl]methyl]phenol
CID 80673903
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
4-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]butanenitrile
CID 71866270
1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 75396630
3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 166193246
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
2-[4-[(3,4-diaminophenyl)methyl]piperazin-1-yl]ethanol
CID 82183767
4-[(3-hydroxyphenyl)methyl]-N-methylpiperazine-1-carbothioamide
CID 100570111
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
3-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46914618
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol (CID 82187897) is 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol is OCCN1CCN(Cc2cccc(O)c2)CC1.
What is the InChIKey of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol?
The InChIKey is AFEFIJPINFGICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-9-8-14-4-6-15(7-5-14)11-12-2-1-3-13(17)10-12/h1-3,10,16-17H,4-9,11H2.
What are the key properties of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol?
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 82187897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).