2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol

C15H22N2O2 — CID 171274552

IUPAC2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@@H](c1ccc(O)c(OCC)c1)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-3-13(17-9-7-16-8-10-17)12-5-6-14(18)15(11-12)19-4-2/h3,5-6,11,13,16,18H,1,4,7-10H2,2H3/t13-/m0/s1
InChIKeyLPIUSOGYXUBECH-ZDUSSCGKSA-N
MW262.35 g/mol
LogP1.92
Rot. Bonds5

About 2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol

2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol (PubChem CID 171274552) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
PubChem CID171274552
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@@H](c1ccc(O)c(OCC)c1)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-3-13(17-9-7-16-8-10-17)12-5-6-14(18)15(11-12)19-4-2/h3,5-6,11,13,16,18H,1,4,7-10H2,2H3/t13-/m0/s1
InChIKeyLPIUSOGYXUBECH-ZDUSSCGKSA-N
XLogP1.92
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171287186
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
CID 171287183
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508
2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310734
2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171168746
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
CID 171274564
1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171273419
2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171274568
2-ethoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287197
4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride
CID 171178730
4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131631160
1-[(1S)-1-(4-methoxy-3-methylphenyl)prop-2-enyl]piperazine
CID 171282576

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol?
The IUPAC name of 2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol (CID 171274552) is 2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol is C=C[C@@H](c1ccc(O)c(OCC)c1)N1CCNCC1.
What is the InChIKey of 2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol?
The InChIKey is LPIUSOGYXUBECH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-13(17-9-7-16-8-10-17)12-5-6-14(18)15(11-12)19-4-2/h3,5-6,11,13,16,18H,1,4,7-10H2,2H3/t13-/m0/s1.
What are the key properties of 2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol?
2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol has a molecular weight of 262.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol is sourced from PubChem (CID 171274552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).