3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol

C18H22N2O2 — CID 110880205

IUPAC3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
SMILESOc1cccc(N2CCN(CC(O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O2/c21-17-8-4-7-16(13-17)20-11-9-19(10-12-20)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,21-22H,9-12,14H2
InChIKeyJMGPWOJHADCZTG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.25
Rot. Bonds4

About 3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol

3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol (PubChem CID 110880205) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
PubChem CID110880205
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
SMILESOc1cccc(N2CCN(CC(O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O2/c21-17-8-4-7-16(13-17)20-11-9-19(10-12-20)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,21-22H,9-12,14H2
InChIKeyJMGPWOJHADCZTG-UHFFFAOYSA-N
XLogP2.25
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110883491
2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol
CID 3044988
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
1-(4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 3466603
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 95104653
2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 19433570
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
CID 11206864
(1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 52532585
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol?
The IUPAC name of 3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol (CID 110880205) is 3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol.
What is the SMILES notation for 3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol?
The canonical SMILES for 3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol is Oc1cccc(N2CCN(CC(O)c3ccccc3)CC2)c1.
What is the InChIKey of 3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol?
The InChIKey is JMGPWOJHADCZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17-8-4-7-16(13-17)20-11-9-19(10-12-20)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,21-22H,9-12,14H2.
What are the key properties of 3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol?
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol has a molecular weight of 298.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol is sourced from PubChem (CID 110880205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).