2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol

C16H24N2O — CID 171290259

IUPAC2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
SMILESC=CC[C@H](c1cc(C)c(O)c(C)c1)N1CCNCC1
InChIInChI=1S/C16H24N2O/c1-4-5-15(18-8-6-17-7-9-18)14-10-12(2)16(19)13(3)11-14/h4,10-11,15,17,19H,1,5-9H2,2-3H3/t15-/m1/s1
InChIKeyXXNKOIGZXMEIIY-OAHLLOKOSA-N
MW260.38 g/mol
LogP2.53
Rot. Bonds4

About 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol

2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol (PubChem CID 171290259) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
PubChem CID171290259
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
SMILESC=CC[C@H](c1cc(C)c(O)c(C)c1)N1CCNCC1
InChIInChI=1S/C16H24N2O/c1-4-5-15(18-8-6-17-7-9-18)14-10-12(2)16(19)13(3)11-14/h4,10-11,15,17,19H,1,5-9H2,2-3H3/t15-/m1/s1
InChIKeyXXNKOIGZXMEIIY-OAHLLOKOSA-N
XLogP2.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171285570
2,6-dimethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171286402
1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine
CID 171294160
(3R)-3-(4-hydroxy-3,5-dimethylphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306803
2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307810
1-[(1S)-1-(3-fluoro-4-methylphenyl)but-3-enyl]piperazine;hydrochloride
CID 171164286
3-fluoro-6-methyl-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171300886
1-[(1S)-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
CID 171273628
1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)but-3-enyl]piperazine
CID 171282356
2-[(1S)-1-piperazin-1-ylbut-3-enyl]benzene-1,3,5-triol
CID 171284666
1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171282357
1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171285468

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol (CID 171290259) is 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol is C=CC[C@H](c1cc(C)c(O)c(C)c1)N1CCNCC1.
What is the InChIKey of 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol?
The InChIKey is XXNKOIGZXMEIIY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-5-15(18-8-6-17-7-9-18)14-10-12(2)16(19)13(3)11-14/h4,10-11,15,17,19H,1,5-9H2,2-3H3/t15-/m1/s1.
What are the key properties of 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol?
2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol has a molecular weight of 260.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol is sourced from PubChem (CID 171290259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).