1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine

C15H23FN2 — CID 171182716

IUPAC1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
SMILESCC(C)c1cccc([C@H](CF)N2CCNCC2)c1
InChIInChI=1S/C15H23FN2/c1-12(2)13-4-3-5-14(10-13)15(11-16)18-8-6-17-7-9-18/h3-5,10,12,15,17H,6-9,11H2,1-2H3/t15-/m0/s1
InChIKeyGZVGMHLAGIDDKY-HNNXBMFYSA-N
MW250.36 g/mol
LogP2.73
Rot. Bonds4

About 1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine

1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine (PubChem CID 171182716) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
PubChem CID171182716
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
SMILESCC(C)c1cccc([C@H](CF)N2CCNCC2)c1
InChIInChI=1S/C15H23FN2/c1-12(2)13-4-3-5-14(10-13)15(11-16)18-8-6-17-7-9-18/h3-5,10,12,15,17H,6-9,11H2,1-2H3/t15-/m0/s1
InChIKeyGZVGMHLAGIDDKY-HNNXBMFYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine
CID 171177597
1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine
CID 171172679
1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181679
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[(1S)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 171177599
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine
CID 171181941
1-[(1R)-2-fluoro-1-(3-nitrophenyl)ethyl]piperazine
CID 171272406
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171290844
1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181724
1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
CID 171171813
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182495
1-[(1S)-1-(3,4-dibromophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171296260

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine (CID 171182716) is 1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine is CC(C)c1cccc([C@H](CF)N2CCNCC2)c1.
What is the InChIKey of 1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine?
The InChIKey is GZVGMHLAGIDDKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(2)13-4-3-5-14(10-13)15(11-16)18-8-6-17-7-9-18/h3-5,10,12,15,17H,6-9,11H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine?
1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine has a molecular weight of 250.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine is sourced from PubChem (CID 171182716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).