2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol

C16H24N2O2 — CID 171287186

IUPAC2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
SMILESC=CC[C@H](c1ccc(O)c(OCC)c1)N1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-3-5-14(18-10-8-17-9-11-18)13-6-7-15(19)16(12-13)20-4-2/h3,6-7,12,14,17,19H,1,4-5,8-11H2,2H3/t14-/m1/s1
InChIKeyWJYAFEGEWYOZEW-CQSZACIVSA-N
MW276.38 g/mol
LogP2.31
Rot. Bonds6

About 2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol

2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol (PubChem CID 171287186) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
PubChem CID171287186
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
SMILESC=CC[C@H](c1ccc(O)c(OCC)c1)N1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-3-5-14(18-10-8-17-9-11-18)13-6-7-15(19)16(12-13)20-4-2/h3,6-7,12,14,17,19H,1,4-5,8-11H2,2H3/t14-/m1/s1
InChIKeyWJYAFEGEWYOZEW-CQSZACIVSA-N
XLogP2.31
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.31
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-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508
2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171274552
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
2-ethoxy-6-[(1S)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171284010
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
CID 171287183
2-ethoxy-6-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171296631
2-ethoxy-6-[(1S)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171284011
2,6-dimethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171286402
4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171288520
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
CID 171274564
2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171274568

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol?
The IUPAC name of 2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol (CID 171287186) is 2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol is C=CC[C@H](c1ccc(O)c(OCC)c1)N1CCNCC1.
What is the InChIKey of 2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol?
The InChIKey is WJYAFEGEWYOZEW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-14(18-10-8-17-9-11-18)13-6-7-15(19)16(12-13)20-4-2/h3,6-7,12,14,17,19H,1,4-5,8-11H2,2H3/t14-/m1/s1.
What are the key properties of 2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol?
2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol has a molecular weight of 276.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol is sourced from PubChem (CID 171287186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).