1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine

C21H26N2 — CID 171292165

IUPAC1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
SMILESc1ccc(-c2ccc([C@@H](CC3CC3)N3CCNCC3)cc2)cc1
InChIInChI=1S/C21H26N2/c1-2-4-18(5-3-1)19-8-10-20(11-9-19)21(16-17-6-7-17)23-14-12-22-13-15-23/h1-5,8-11,17,21-22H,6-7,12-16H2/t21-/m1/s1
InChIKeyHRTVBPDFLJDJLV-OAQYLSRUSA-N
MW306.45 g/mol
LogP4.10
Rot. Bonds5

About 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine

1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine (PubChem CID 171292165) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
PubChem CID171292165
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
SMILESc1ccc(-c2ccc([C@@H](CC3CC3)N3CCNCC3)cc2)cc1
InChIInChI=1S/C21H26N2/c1-2-4-18(5-3-1)19-8-10-20(11-9-19)21(16-17-6-7-17)23-14-12-22-13-15-23/h1-5,8-11,17,21-22H,6-7,12-16H2/t21-/m1/s1
InChIKeyHRTVBPDFLJDJLV-OAQYLSRUSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
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)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
CID 171180179
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301
1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281131
1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
CID 171310273
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine (CID 171292165) is 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine is c1ccc(-c2ccc([C@@H](CC3CC3)N3CCNCC3)cc2)cc1.
What is the InChIKey of 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine?
The InChIKey is HRTVBPDFLJDJLV-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-4-18(5-3-1)19-8-10-20(11-9-19)21(16-17-6-7-17)23-14-12-22-13-15-23/h1-5,8-11,17,21-22H,6-7,12-16H2/t21-/m1/s1.
What are the key properties of 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine?
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine has a molecular weight of 306.45 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)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine is sourced from PubChem (CID 171292165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).