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

C22H30N2 — CID 171308361

IUPAC1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine
SMILESCCCCC[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C22H30N2/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/t22-/m1/s1
InChIKeyIHSOQDKJJKVJGZ-JOCHJYFZSA-N
MW322.50 g/mol
LogP4.88
Rot. Bonds7

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

1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine (PubChem CID 171308361) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine
PubChem CID171308361
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine
SMILESCCCCC[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C22H30N2/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/t22-/m1/s1
InChIKeyIHSOQDKJJKVJGZ-JOCHJYFZSA-N
XLogP4.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
CID 171308362
1-[(1R)-1-(3-phenylphenyl)butyl]piperazine
CID 171295754
1-[(1S)-1-(3-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171283135
1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride
CID 171310494
3-[(1S)-1-piperazin-1-ylhexyl]benzonitrile
CID 171308837
1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295763
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine
CID 171309305
1-[(1S)-1-(3,4-difluorophenyl)hexyl]piperazine
CID 171166603
4-[(1R)-1-piperazin-1-ylhexyl]benzene-1,2-diol
CID 171307270

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine (CID 171308361) is 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine is CCCCC[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine?
The InChIKey is IHSOQDKJJKVJGZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H30N2/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/t22-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine?
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine has a molecular weight of 322.50 g/mol, XLogP of 4.88, 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 is sourced from PubChem (CID 171308361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).