4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol

C19H24N2O3 — CID 67083400

IUPAC4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol
SMILESCCN1CCNCC1OC(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H24N2O3/c1-2-21-12-11-20-13-18(21)24-19(14-3-7-16(22)8-4-14)15-5-9-17(23)10-6-15/h3-10,18-20,22-23H,2,11-13H2,1H3
InChIKeyVUBALUODNYZKIY-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.45
Rot. Bonds5

About 4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol

4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol (PubChem CID 67083400) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol
PubChem CID67083400
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol
SMILESCCN1CCNCC1OC(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H24N2O3/c1-2-21-12-11-20-13-18(21)24-19(14-3-7-16(22)8-4-14)15-5-9-17(23)10-6-15/h3-10,18-20,22-23H,2,11-13H2,1H3
InChIKeyVUBALUODNYZKIY-UHFFFAOYSA-N
XLogP2.45
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol (CID 67083400) is 4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol is CCN1CCNCC1OC(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is VUBALUODNYZKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-21-12-11-20-13-18(21)24-19(14-3-7-16(22)8-4-14)15-5-9-17(23)10-6-15/h3-10,18-20,22-23H,2,11-13H2,1H3.
What are the key properties of 4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol?
4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 328.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 67083400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).