1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride

C22H32Cl2N2 — CID 171308362

IUPAC1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C22H30N2.2ClH/c1-2-3-5-13-22(24-16-14-23-15-17-24)21-12-8-11-20(18-21)19-9-6-4-7-10-19;;/h4,6-12,18,22-23H,2-3,5,13-17H2,1H3;2*1H/t22-;;/m1../s1
InChIKeyKXCJKDWVYAQDNQ-GJICFQLNSA-N
MW395.42 g/mol
LogP5.72
Rot. Bonds7

About 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride

1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride (PubChem CID 171308362) has the molecular formula C22H32Cl2N2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
PubChem CID171308362
Molecular FormulaC22H32Cl2N2
Molecular Weight395.42 g/mol
Exact Mass394.19
IUPAC Name1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C22H30N2.2ClH/c1-2-3-5-13-22(24-16-14-23-15-17-24)21-12-8-11-20(18-21)19-9-6-4-7-10-19;;/h4,6-12,18,22-23H,2-3,5,13-17H2,1H3;2*1H/t22-;;/m1../s1
InChIKeyKXCJKDWVYAQDNQ-GJICFQLNSA-N
XLogP5.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine
CID 171308361
1-[(1S)-1-(3-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171283135
1-[(1R)-1-(3-phenylphenyl)butyl]piperazine
CID 171295754
1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride
CID 171310494
1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295763
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836
3-[(1S)-1-piperazin-1-ylhexyl]benzonitrile
CID 171308837
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171172081
1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308008
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride (CID 171308362) is 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride is CCCCC[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride?
The InChIKey is KXCJKDWVYAQDNQ-GJICFQLNSA-N. The full InChI is InChI=1S/C22H30N2.2ClH/c1-2-3-5-13-22(24-16-14-23-15-17-24)21-12-8-11-20(18-21)19-9-6-4-7-10-19;;/h4,6-12,18,22-23H,2-3,5,13-17H2,1H3;2*1H/t22-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride has a molecular weight of 395.42 g/mol, XLogP of 5.72, 7 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)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).