1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride

C21H28Cl2N2 — CID 171295763

IUPAC1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C21H26N2.2ClH/c1-2-3-12-21(23-15-13-22-14-16-23)20-11-7-10-19(17-20)18-8-5-4-6-9-18;;/h2,4-11,17,21-22H,1,3,12-16H2;2*1H/t21-;;/m1../s1
InChIKeyAHWKMYBNYLVVOS-GHVWMZMZSA-N
MW379.38 g/mol
LogP5.11
Rot. Bonds6

About 1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride

1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride (PubChem CID 171295763) has the molecular formula C21H28Cl2N2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride
PubChem CID171295763
Molecular FormulaC21H28Cl2N2
Molecular Weight379.38 g/mol
Exact Mass378.16
IUPAC Name1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C21H26N2.2ClH/c1-2-3-12-21(23-15-13-22-14-16-23)20-11-7-10-19(17-20)18-8-5-4-6-9-18;;/h2,4-11,17,21-22H,1,3,12-16H2;2*1H/t21-;;/m1../s1
InChIKeyAHWKMYBNYLVVOS-GHVWMZMZSA-N
XLogP5.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.38
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(3-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171283135
1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine
CID 171286987
1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride
CID 171310494
1-[(1R)-1-(3-phenylphenyl)butyl]piperazine
CID 171295754
1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride
CID 171291315
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
CID 171308362
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine
CID 171308361
1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171295733
4-[(1S)-1-piperazin-1-ylpent-4-enyl]benzene-1,2-diol;dihydrochloride
CID 171272501
1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171287878
1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171284729
1-[(1S)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171272101

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride (CID 171295763) is 1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride is C=CCC[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride?
The InChIKey is AHWKMYBNYLVVOS-GHVWMZMZSA-N. The full InChI is InChI=1S/C21H26N2.2ClH/c1-2-3-12-21(23-15-13-22-14-16-23)20-11-7-10-19(17-20)18-8-5-4-6-9-18;;/h2,4-11,17,21-22H,1,3,12-16H2;2*1H/t21-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride has a molecular weight of 379.38 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).