1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride

C23H28Cl2N2 — CID 171284729

IUPAC1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1c2ccccc2cc2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C23H26N2.2ClH/c1-2-3-12-22(25-15-13-24-14-16-25)23-20-10-6-4-8-18(20)17-19-9-5-7-11-21(19)23;;/h2,4-11,17,22,24H,1,3,12-16H2;2*1H/t22-;;/m1../s1
InChIKeyZRXZFANXVVKBQP-GJICFQLNSA-N
MW403.40 g/mol
LogP5.75
Rot. Bonds5

About 1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride

1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride (PubChem CID 171284729) has the molecular formula C23H28Cl2N2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
PubChem CID171284729
Molecular FormulaC23H28Cl2N2
Molecular Weight403.40 g/mol
Exact Mass402.16
IUPAC Name1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1c2ccccc2cc2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C23H26N2.2ClH/c1-2-3-12-22(25-15-13-24-14-16-25)23-20-10-6-4-8-18(20)17-19-9-5-7-11-21(19)23;;/h2,4-11,17,22,24H,1,3,12-16H2;2*1H/t22-;;/m1../s1
InChIKeyZRXZFANXVVKBQP-GJICFQLNSA-N
XLogP5.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.40
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171272101
1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride
CID 171294742
1-[(1S)-1-anthracen-9-yl-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302275
1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride
CID 171181642
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine
CID 171282418
1-[(1R)-1-anthracen-9-ylhexyl]piperazine;dihydrochloride
CID 171307227
1-[(1S)-1-anthracen-9-yl-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171272103
1-[(1S)-1-anthracen-9-yl-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302274
1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine
CID 171284992
1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290601
1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295763
2-[(1R)-1-piperazin-1-ylpent-4-enyl]benzene-1,3,5-triol
CID 171297311

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride (CID 171284729) is 1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride is C=CCC[C@H](c1c2ccccc2cc2ccccc12)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride?
The InChIKey is ZRXZFANXVVKBQP-GJICFQLNSA-N. The full InChI is InChI=1S/C23H26N2.2ClH/c1-2-3-12-22(25-15-13-24-14-16-25)23-20-10-6-4-8-18(20)17-19-9-5-7-11-21(19)23;;/h2,4-11,17,22,24H,1,3,12-16H2;2*1H/t22-;;/m1../s1.
What are the key properties of 1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride?
1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride has a molecular weight of 403.40 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171284729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).