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

C20H26N2 — CID 171295754

IUPAC1-[(1R)-1-(3-phenylphenyl)butyl]piperazine
SMILESCCC[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C20H26N2/c1-2-7-20(22-14-12-21-13-15-22)19-11-6-10-18(16-19)17-8-4-3-5-9-17/h3-6,8-11,16,20-21H,2,7,12-15H2,1H3/t20-/m1/s1
InChIKeyZUWBWSCNAYRCKH-HXUWFJFHSA-N
MW294.44 g/mol
LogP4.10
Rot. Bonds5

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

1-[(1R)-1-(3-phenylphenyl)butyl]piperazine (PubChem CID 171295754) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[(1R)-1-(3-phenylphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-phenylphenyl)butyl]piperazine
PubChem CID171295754
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1-[(1R)-1-(3-phenylphenyl)butyl]piperazine
SMILESCCC[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C20H26N2/c1-2-7-20(22-14-12-21-13-15-22)19-11-6-10-18(16-19)17-8-4-3-5-9-17/h3-6,8-11,16,20-21H,2,7,12-15H2,1H3/t20-/m1/s1
InChIKeyZUWBWSCNAYRCKH-HXUWFJFHSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171283135
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine
CID 171308361
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
CID 171308362
1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride
CID 171310494
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295763
3-[(1R)-1-piperazin-1-ylbutyl]benzonitrile
CID 171287624
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911
1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
CID 171310273
[3-[(1S)-1-piperazin-1-ylbutyl]phenyl] acetate;dihydrochloride
CID 171280252
1-[(1S)-1-(4-iodophenyl)butyl]piperazine
CID 171276051
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-phenylphenyl)butyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-phenylphenyl)butyl]piperazine (CID 171295754) is 1-[(1R)-1-(3-phenylphenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-phenylphenyl)butyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-phenylphenyl)butyl]piperazine is CCC[C@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-phenylphenyl)butyl]piperazine?
The InChIKey is ZUWBWSCNAYRCKH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N2/c1-2-7-20(22-14-12-21-13-15-22)19-11-6-10-18(16-19)17-8-4-3-5-9-17/h3-6,8-11,16,20-21H,2,7,12-15H2,1H3/t20-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-phenylphenyl)butyl]piperazine?
1-[(1R)-1-(3-phenylphenyl)butyl]piperazine has a molecular weight of 294.44 g/mol, XLogP of 4.10, 5 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)butyl]piperazine is sourced from PubChem (CID 171295754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).