1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine

C15H21F3N2O — CID 171168617

IUPAC1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
SMILESCOc1ccc([C@@H](CCC(F)(F)F)N2CCNCC2)cc1
InChIInChI=1S/C15H21F3N2O/c1-21-13-4-2-12(3-5-13)14(6-7-15(16,17)18)20-10-8-19-9-11-20/h2-5,14,19H,6-11H2,1H3/t14-/m1/s1
InChIKeyNZGDKINGWJYLAB-CQSZACIVSA-N
MW302.34 g/mol
LogP2.98
Rot. Bonds5

About 1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine

1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine (PubChem CID 171168617) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
PubChem CID171168617
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
SMILESCOc1ccc([C@@H](CCC(F)(F)F)N2CCNCC2)cc1
InChIInChI=1S/C15H21F3N2O/c1-21-13-4-2-12(3-5-13)14(6-7-15(16,17)18)20-10-8-19-9-11-20/h2-5,14,19H,6-11H2,1H3/t14-/m1/s1
InChIKeyNZGDKINGWJYLAB-CQSZACIVSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine with MolForge

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Related Compounds

1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride
CID 171168427
1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171168494
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine
CID 171165897
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
1-[(1S)-4,4,4-trifluoro-1-(4-methylphenyl)butyl]piperazine;dihydrochloride
CID 171303015
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
1-[(1S)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171163032
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine?
The IUPAC name of 1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine (CID 171168617) is 1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine is COc1ccc([C@@H](CCC(F)(F)F)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine?
The InChIKey is NZGDKINGWJYLAB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-21-13-4-2-12(3-5-13)14(6-7-15(16,17)18)20-10-8-19-9-11-20/h2-5,14,19H,6-11H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine?
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine has a molecular weight of 302.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine is sourced from PubChem (CID 171168617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).