1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine

C17H19F3N2 — CID 171180294

IUPAC1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine
SMILESCc1ccc([C@@H](N2CCNCC2)C(F)(F)F)c2ccccc12
InChIInChI=1S/C17H19F3N2/c1-12-6-7-15(14-5-3-2-4-13(12)14)16(17(18,19)20)22-10-8-21-9-11-22/h2-7,16,21H,8-11H2,1H3/t16-/m1/s1
InChIKeyFUTJHFUUDIQXOP-MRXNPFEDSA-N
MW308.35 g/mol
LogP3.66
Rot. Bonds2

About 1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine

1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine (PubChem CID 171180294) has the molecular formula C17H19F3N2 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine
PubChem CID171180294
Molecular FormulaC17H19F3N2
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine
SMILESCc1ccc([C@@H](N2CCNCC2)C(F)(F)F)c2ccccc12
InChIInChI=1S/C17H19F3N2/c1-12-6-7-15(14-5-3-2-4-13(12)14)16(17(18,19)20)22-10-8-21-9-11-22/h2-7,16,21H,8-11H2,1H3/t16-/m1/s1
InChIKeyFUTJHFUUDIQXOP-MRXNPFEDSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171177719
1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171165950
1-[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280306
1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178089
1-[(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethyl]piperazine
CID 171178950
1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine
CID 171180290
1-[(1R)-1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171180965
1-[(1S)-1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171177581
1-[(1R)-1-(5-bromo-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179200
(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183095
1-[(1R)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178275
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171174920

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine (CID 171180294) is 1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine is Cc1ccc([C@@H](N2CCNCC2)C(F)(F)F)c2ccccc12.
What is the InChIKey of 1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine?
The InChIKey is FUTJHFUUDIQXOP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19F3N2/c1-12-6-7-15(14-5-3-2-4-13(12)14)16(17(18,19)20)22-10-8-21-9-11-22/h2-7,16,21H,8-11H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine?
1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine has a molecular weight of 308.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine is sourced from PubChem (CID 171180294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).