1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine

C17H19F3N2O — CID 171177719

IUPAC1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine
SMILESCOc1ccc([C@H](N2CCNCC2)C(F)(F)F)c2ccccc12
InChIInChI=1S/C17H19F3N2O/c1-23-15-7-6-14(12-4-2-3-5-13(12)15)16(17(18,19)20)22-10-8-21-9-11-22/h2-7,16,21H,8-11H2,1H3/t16-/m0/s1
InChIKeyCYLFNQCHBMJJLS-INIZCTEOSA-N
MW324.35 g/mol
LogP3.36
Rot. Bonds3

About 1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine

1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine (PubChem CID 171177719) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine
PubChem CID171177719
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine
SMILESCOc1ccc([C@H](N2CCNCC2)C(F)(F)F)c2ccccc12
InChIInChI=1S/C17H19F3N2O/c1-23-15-7-6-14(12-4-2-3-5-13(12)15)16(17(18,19)20)22-10-8-21-9-11-22/h2-7,16,21H,8-11H2,1H3/t16-/m0/s1
InChIKeyCYLFNQCHBMJJLS-INIZCTEOSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropyl]piperazine
CID 171284295
1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171288007
1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine
CID 171180294
1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171296885
1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
CID 171284275
1-[(1S)-1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171287381
1-[(1S)-1-(4-bromo-2-methoxyphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171176088
1-[(1S)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171177902
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178852
1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride
CID 171178546
1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
CID 171284290
1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine
CID 171284273

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine (CID 171177719) is 1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine is COc1ccc([C@H](N2CCNCC2)C(F)(F)F)c2ccccc12.
What is the InChIKey of 1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine?
The InChIKey is CYLFNQCHBMJJLS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-23-15-7-6-14(12-4-2-3-5-13(12)15)16(17(18,19)20)22-10-8-21-9-11-22/h2-7,16,21H,8-11H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine?
1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine has a molecular weight of 324.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine is sourced from PubChem (CID 171177719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).