1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine

C21H28N2O — CID 171282418

IUPAC1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1c(OCC)ccc2ccccc12)N1CCNCC1
InChIInChI=1S/C21H28N2O/c1-3-5-10-19(23-15-13-22-14-16-23)21-18-9-7-6-8-17(18)11-12-20(21)24-4-2/h3,6-9,11-12,19,22H,1,4-5,10,13-16H2,2H3/t19-/m0/s1
InChIKeyBSGTTWORCSBAHC-IBGZPJMESA-N
MW324.47 g/mol
LogP4.15
Rot. Bonds7

About 1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine

1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine (PubChem CID 171282418) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine
PubChem CID171282418
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1c(OCC)ccc2ccccc12)N1CCNCC1
InChIInChI=1S/C21H28N2O/c1-3-5-10-19(23-15-13-22-14-16-23)21-18-9-7-6-8-17(18)11-12-20(21)24-4-2/h3,6-9,11-12,19,22H,1,4-5,10,13-16H2,2H3/t19-/m0/s1
InChIKeyBSGTTWORCSBAHC-IBGZPJMESA-N
XLogP4.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.15
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-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride
CID 171294742
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)hexyl]piperazine;dihydrochloride
CID 171309582
1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine
CID 171295034
1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171295033
1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171284729
1-[(1S)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171272101
1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride
CID 171282098
1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine
CID 171282396
(3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190278
3-bromo-6-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171298672
1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine
CID 171284992
2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171274672

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine (CID 171282418) is 1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine is C=CCC[C@@H](c1c(OCC)ccc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine?
The InChIKey is BSGTTWORCSBAHC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N2O/c1-3-5-10-19(23-15-13-22-14-16-23)21-18-9-7-6-8-17(18)11-12-20(21)24-4-2/h3,6-9,11-12,19,22H,1,4-5,10,13-16H2,2H3/t19-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine?
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine has a molecular weight of 324.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine is sourced from PubChem (CID 171282418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).