3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol

C17H26N2O3 — CID 171291518

IUPAC3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
SMILESC=CCC[C@H](c1c(OC)cc(O)cc1OC)N1CCNCC1
InChIInChI=1S/C17H26N2O3/c1-4-5-6-14(19-9-7-18-8-10-19)17-15(21-2)11-13(20)12-16(17)22-3/h4,11-12,14,18,20H,1,5-10H2,2-3H3/t14-/m1/s1
InChIKeyOGKITKBBZYFBMD-CQSZACIVSA-N
MW306.41 g/mol
LogP2.32
Rot. Bonds7

About 3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol

3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol (PubChem CID 171291518) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol.

Molecular Properties

Compound Name3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
PubChem CID171291518
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
SMILESC=CCC[C@H](c1c(OC)cc(O)cc1OC)N1CCNCC1
InChIInChI=1S/C17H26N2O3/c1-4-5-6-14(19-9-7-18-8-10-19)17-15(21-2)11-13(20)12-16(17)22-3/h4,11-12,14,18,20H,1,5-10H2,2-3H3/t14-/m1/s1
InChIKeyOGKITKBBZYFBMD-CQSZACIVSA-N
XLogP2.32
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171278932
3-methoxy-4-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171274519
3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171310995
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171189535
2-[(1R)-1-piperazin-1-ylpent-4-enyl]benzene-1,3,5-triol
CID 171297311
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol
CID 171183397
3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171309229
4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171181788
3-bromo-6-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171298672
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171278888
1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171286281
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine
CID 171293400

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol?
The IUPAC name of 3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol (CID 171291518) is 3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol.
What is the SMILES notation for 3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol?
The canonical SMILES for 3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol is C=CCC[C@H](c1c(OC)cc(O)cc1OC)N1CCNCC1.
What is the InChIKey of 3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol?
The InChIKey is OGKITKBBZYFBMD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-5-6-14(19-9-7-18-8-10-19)17-15(21-2)11-13(20)12-16(17)22-3/h4,11-12,14,18,20H,1,5-10H2,2-3H3/t14-/m1/s1.
What are the key properties of 3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol?
3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol has a molecular weight of 306.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol is sourced from PubChem (CID 171291518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).