1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride

C20H28Cl2N2 — CID 171292164

IUPAC1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C20H26N2.2ClH/c1-2-6-20(22-15-13-21-14-16-22)19-11-9-18(10-12-19)17-7-4-3-5-8-17;;/h3-5,7-12,20-21H,2,6,13-16H2,1H3;2*1H/t20-;;/m1../s1
InChIKeyIWLGJWWBKJLAND-FAVHNTAZSA-N
MW367.36 g/mol
LogP4.94
Rot. Bonds5

About 1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride

1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride (PubChem CID 171292164) has the molecular formula C20H28Cl2N2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
PubChem CID171292164
Molecular FormulaC20H28Cl2N2
Molecular Weight367.36 g/mol
Exact Mass366.16
IUPAC Name1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C20H26N2.2ClH/c1-2-6-20(22-15-13-21-14-16-22)19-11-9-18(10-12-19)17-7-4-3-5-8-17;;/h3-5,7-12,20-21H,2,6,13-16H2,1H3;2*1H/t20-;;/m1../s1
InChIKeyIWLGJWWBKJLAND-FAVHNTAZSA-N
XLogP4.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.94
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)butyl]piperazine
CID 171295754
1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
CID 171310273
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
CID 171181994
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292149
1-[(1S)-1-(4-iodophenyl)butyl]piperazine
CID 171276051
1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
CID 171180179
N-benzyl-4-[(1S)-1-piperazin-1-ylbutyl]aniline
CID 171275088
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
CID 171308362
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride (CID 171292164) is 1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride is CCC[C@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride?
The InChIKey is IWLGJWWBKJLAND-FAVHNTAZSA-N. The full InChI is InChI=1S/C20H26N2.2ClH/c1-2-6-20(22-15-13-21-14-16-22)19-11-9-18(10-12-19)17-7-4-3-5-8-17;;/h3-5,7-12,20-21H,2,6,13-16H2,1H3;2*1H/t20-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride has a molecular weight of 367.36 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).