(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol

C20H26N2O2 — CID 95104653

IUPAC(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESCCOc1ccc([C@@H](O)CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-24-19-10-8-17(9-11-19)20(23)16-21-12-14-22(15-13-21)18-6-4-3-5-7-18/h3-11,20,23H,2,12-16H2,1H3/t20-/m0/s1
InChIKeyBMTVXPYVBUZRJJ-FQEVSTJZSA-N
MW326.44 g/mol
LogP2.94
Rot. Bonds6

About (1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol

(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol (PubChem CID 95104653) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
PubChem CID95104653
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESCCOc1ccc([C@@H](O)CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-24-19-10-8-17(9-11-19)20(23)16-21-12-14-22(15-13-21)18-6-4-3-5-7-18/h3-11,20,23H,2,12-16H2,1H3/t20-/m0/s1
InChIKeyBMTVXPYVBUZRJJ-FQEVSTJZSA-N
XLogP2.94
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 53180192
1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 53180184
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 110880205
1-(4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 3466603
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol
CID 63634863
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 3809225
(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1177221

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol?
The IUPAC name of (1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol (CID 95104653) is (1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol?
The canonical SMILES for (1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol is CCOc1ccc([C@@H](O)CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol?
The InChIKey is BMTVXPYVBUZRJJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-24-19-10-8-17(9-11-19)20(23)16-21-12-14-22(15-13-21)18-6-4-3-5-7-18/h3-11,20,23H,2,12-16H2,1H3/t20-/m0/s1.
What are the key properties of (1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol?
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol has a molecular weight of 326.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol is sourced from PubChem (CID 95104653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).