6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol

C19H24N2O — CID 171287800

IUPAC6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol
SMILESC=C(C)C[C@H](c1ccc2cc(O)ccc2c1)N1CCNCC1
InChIInChI=1S/C19H24N2O/c1-14(2)11-19(21-9-7-20-8-10-21)17-4-3-16-13-18(22)6-5-15(16)12-17/h3-6,12-13,19-20,22H,1,7-11H2,2H3/t19-/m1/s1
InChIKeyONBUIZQGWUMINW-LJQANCHMSA-N
MW296.41 g/mol
LogP3.46
Rot. Bonds4

About 6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol

6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol (PubChem CID 171287800) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol
PubChem CID171287800
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol
SMILESC=C(C)C[C@H](c1ccc2cc(O)ccc2c1)N1CCNCC1
InChIInChI=1S/C19H24N2O/c1-14(2)11-19(21-9-7-20-8-10-21)17-4-3-16-13-18(22)6-5-15(16)12-17/h3-6,12-13,19-20,22H,1,7-11H2,2H3/t19-/m1/s1
InChIKeyONBUIZQGWUMINW-LJQANCHMSA-N
XLogP3.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol
CID 171275172
6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171275145
6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride
CID 171275163
6-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277884
5-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]-1H-indole
CID 171277843
5-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]benzene-1,3-diol;dihydrochloride
CID 171273875
1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine
CID 171273254
1-[(1S)-1-(3-iodophenyl)-3-methylbut-3-enyl]piperazine
CID 171280724
1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine
CID 171294206
1-[(1R)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285883
1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine
CID 171286732
1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171294207

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol?
The IUPAC name of 6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol (CID 171287800) is 6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol.
What is the SMILES notation for 6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol?
The canonical SMILES for 6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol is C=C(C)C[C@H](c1ccc2cc(O)ccc2c1)N1CCNCC1.
What is the InChIKey of 6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol?
The InChIKey is ONBUIZQGWUMINW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14(2)11-19(21-9-7-20-8-10-21)17-4-3-16-13-18(22)6-5-15(16)12-17/h3-6,12-13,19-20,22H,1,7-11H2,2H3/t19-/m1/s1.
What are the key properties of 6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol?
6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol has a molecular weight of 296.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]naphthalen-2-ol is sourced from PubChem (CID 171287800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).