1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride

C19H26Cl2N2O — CID 171282098

IUPAC1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride
SMILESC=CC[C@@H](c1c(OC)ccc2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H24N2O.2ClH/c1-3-6-17(21-13-11-20-12-14-21)19-16-8-5-4-7-15(16)9-10-18(19)22-2;;/h3-5,7-10,17,20H,1,6,11-14H2,2H3;2*1H/t17-;;/m0../s1
InChIKeySQISYULBJCWGDX-RMRYJAPISA-N
MW369.34 g/mol
LogP4.21
Rot. Bonds5

About 1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride

1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride (PubChem CID 171282098) has the molecular formula C19H26Cl2N2O and a molecular weight of 369.34 g/mol. Its IUPAC name is 1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride
PubChem CID171282098
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.34 g/mol
Exact Mass368.14
IUPAC Name1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride
SMILESC=CC[C@@H](c1c(OC)ccc2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H24N2O.2ClH/c1-3-6-17(21-13-11-20-12-14-21)19-16-8-5-4-7-15(16)9-10-18(19)22-2;;/h3-5,7-10,17,20H,1,6,11-14H2,2H3;2*1H/t17-;;/m0../s1
InChIKeySQISYULBJCWGDX-RMRYJAPISA-N
XLogP4.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.21
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-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171172510
1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine
CID 171284273
1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171282087
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine
CID 171282418
1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol
CID 82263008
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171290555
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)but-3-enyl]piperazine;hydrochloride
CID 171168827
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171275015
1-[(1R)-1-(5-chloro-2-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171295988
1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine
CID 171294727
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171287643

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride (CID 171282098) is 1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride is C=CC[C@@H](c1c(OC)ccc2ccccc12)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride?
The InChIKey is SQISYULBJCWGDX-RMRYJAPISA-N. The full InChI is InChI=1S/C19H24N2O.2ClH/c1-3-6-17(21-13-11-20-12-14-21)19-16-8-5-4-7-15(16)9-10-18(19)22-2;;/h3-5,7-10,17,20H,1,6,11-14H2,2H3;2*1H/t17-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride?
1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride has a molecular weight of 369.34 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171282098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).