1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine

C19H24N2O — CID 171284273

IUPAC1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine
SMILESC=CC[C@@H](c1ccc(OC)c2ccccc12)N1CCNCC1
InChIInChI=1S/C19H24N2O/c1-3-6-18(21-13-11-20-12-14-21)16-9-10-19(22-2)17-8-5-4-7-15(16)17/h3-5,7-10,18,20H,1,6,11-14H2,2H3/t18-/m0/s1
InChIKeyWYUTWOSBGILFDA-SFHVURJKSA-N
MW296.41 g/mol
LogP3.37
Rot. Bonds5

About 1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine

1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine (PubChem CID 171284273) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine
PubChem CID171284273
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine
SMILESC=CC[C@@H](c1ccc(OC)c2ccccc12)N1CCNCC1
InChIInChI=1S/C19H24N2O/c1-3-6-18(21-13-11-20-12-14-21)16-9-10-19(22-2)17-8-5-4-7-15(16)17/h3-5,7-10,18,20H,1,6,11-14H2,2H3/t18-/m0/s1
InChIKeyWYUTWOSBGILFDA-SFHVURJKSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride
CID 171282098
1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
CID 171284290
1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311328
4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride
CID 171292390
1-[(1S)-1-(2-methoxy-5-propan-2-ylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171284240
3-methoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171287122
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171290555
1-[(1R)-1-(5-chloro-2-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171295988
1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171296885
1-[(1S)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropyl]piperazine
CID 171284295
1-[(1S)-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
CID 171273628
1-[(1S)-1-[2-methoxy-4-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171284372

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine (CID 171284273) is 1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine is C=CC[C@@H](c1ccc(OC)c2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine?
The InChIKey is WYUTWOSBGILFDA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-6-18(21-13-11-20-12-14-21)16-9-10-19(22-2)17-8-5-4-7-15(16)17/h3-5,7-10,18,20H,1,6,11-14H2,2H3/t18-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine?
1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine has a molecular weight of 296.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine is sourced from PubChem (CID 171284273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).