1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride

C19H24Cl2N2 — CID 171295733

IUPAC1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H22N2.2ClH/c1-2-19(21-13-11-20-12-14-21)18-10-6-9-17(15-18)16-7-4-3-5-8-16;;/h2-10,15,19-20H,1,11-14H2;2*1H/t19-;;/m1../s1
InChIKeySVJPQTWDNXDZGY-JQDLGSOUSA-N
MW351.32 g/mol
LogP4.33
Rot. Bonds4

About 1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride

1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride (PubChem CID 171295733) has the molecular formula C19H24Cl2N2 and a molecular weight of 351.32 g/mol. Its IUPAC name is 1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride
PubChem CID171295733
Molecular FormulaC19H24Cl2N2
Molecular Weight351.32 g/mol
Exact Mass350.13
IUPAC Name1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H22N2.2ClH/c1-2-19(21-13-11-20-12-14-21)18-10-6-9-17(15-18)16-7-4-3-5-8-16;;/h2-10,15,19-20H,1,11-14H2;2*1H/t19-;;/m1../s1
InChIKeySVJPQTWDNXDZGY-JQDLGSOUSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 54.33
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-[(1R)-1-(3-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171286216
3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171285428
1-[(1S)-1-(3-iodophenyl)prop-2-enyl]piperazine
CID 131360304
3-[(1R)-1-piperazin-1-ylprop-2-enyl]benzonitrile;dihydrochloride
CID 171287601
1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295763
1-[1-(2-phenylphenyl)prop-2-enyl]piperazine
CID 67317637
1-[(1R)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171171215
1-[(1S)-1-(3-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171283135
1,4-bis(1-phenylprop-2-enyl)piperazine
CID 67460687
1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride
CID 171310494
1-[(1R)-1-(3-phenylphenyl)butyl]piperazine
CID 171295754
1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171273419

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride (CID 171295733) is 1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride is C=C[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride?
The InChIKey is SVJPQTWDNXDZGY-JQDLGSOUSA-N. The full InChI is InChI=1S/C19H22N2.2ClH/c1-2-19(21-13-11-20-12-14-21)18-10-6-9-17(15-18)16-7-4-3-5-8-16;;/h2-10,15,19-20H,1,11-14H2;2*1H/t19-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride has a molecular weight of 351.32 g/mol, XLogP of 4.33, 4 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)prop-2-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).