4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol

C20H26N2O2 — CID 10925438

IUPAC4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol
SMILESCCN1CCN(CC)[C@@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1
InChIInChI=1S/C20H26N2O2/c1-3-21-13-14-22(4-2)20(16-7-11-18(24)12-8-16)19(21)15-5-9-17(23)10-6-15/h5-12,19-20,23-24H,3-4,13-14H2,1-2H3/t19-,20+
InChIKeyOIBQWAYHWVPSPQ-BGYRXZFFSA-N
MW326.44 g/mol
LogP3.54
Rot. Bonds4

About 4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol

4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol (PubChem CID 10925438) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol.

Molecular Properties

Compound Name4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol
PubChem CID10925438
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol
SMILESCCN1CCN(CC)[C@@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1
InChIInChI=1S/C20H26N2O2/c1-3-21-13-14-22(4-2)20(16-7-11-18(24)12-8-16)19(21)15-5-9-17(23)10-6-15/h5-12,19-20,23-24H,3-4,13-14H2,1-2H3/t19-,20+
InChIKeyOIBQWAYHWVPSPQ-BGYRXZFFSA-N
XLogP3.54
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol?
The IUPAC name of 4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol (CID 10925438) is 4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol.
What is the SMILES notation for 4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol?
The canonical SMILES for 4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol is CCN1CCN(CC)[C@@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1.
What is the InChIKey of 4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol?
The InChIKey is OIBQWAYHWVPSPQ-BGYRXZFFSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-21-13-14-22(4-2)20(16-7-11-18(24)12-8-16)19(21)15-5-9-17(23)10-6-15/h5-12,19-20,23-24H,3-4,13-14H2,1-2H3/t19-,20+.
What are the key properties of 4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol?
4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol has a molecular weight of 326.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-1,4-diethyl-3-(4-hydroxyphenyl)piperazin-2-yl]phenol is sourced from PubChem (CID 10925438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).