1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride

C20H28Cl2N2O — CID 171294742

IUPAC1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1c(OC)ccc2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C20H26N2O.2ClH/c1-3-4-9-18(22-14-12-21-13-15-22)20-17-8-6-5-7-16(17)10-11-19(20)23-2;;/h3,5-8,10-11,18,21H,1,4,9,12-15H2,2H3;2*1H/t18-;;/m1../s1
InChIKeyVBELVCMJNDREFK-JPKZNVRTSA-N
MW383.36 g/mol
LogP4.60
Rot. Bonds6

About 1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride

1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride (PubChem CID 171294742) has the molecular formula C20H28Cl2N2O and a molecular weight of 383.36 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride
PubChem CID171294742
Molecular FormulaC20H28Cl2N2O
Molecular Weight383.36 g/mol
Exact Mass382.16
IUPAC Name1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1c(OC)ccc2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C20H26N2O.2ClH/c1-3-4-9-18(22-14-12-21-13-15-22)20-17-8-6-5-7-16(17)10-11-19(20)23-2;;/h3,5-8,10-11,18,21H,1,4,9,12-15H2,2H3;2*1H/t18-;;/m1../s1
InChIKeyVBELVCMJNDREFK-JPKZNVRTSA-N
XLogP4.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.60
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-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine
CID 171282418
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-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine
CID 171293400
1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171172510
3-bromo-6-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171298672
1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171282087
3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171291518
1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171286281
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290387
1-[(1S)-1-(5-chloro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171283386

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride (CID 171294742) is 1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride is C=CCC[C@H](c1c(OC)ccc2ccccc12)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride?
The InChIKey is VBELVCMJNDREFK-JPKZNVRTSA-N. The full InChI is InChI=1S/C20H26N2O.2ClH/c1-3-4-9-18(22-14-12-21-13-15-22)20-17-8-6-5-7-16(17)10-11-19(20)23-2;;/h3,5-8,10-11,18,21H,1,4,9,12-15H2,2H3;2*1H/t18-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride has a molecular weight of 383.36 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171294742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).