1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine

C15H23FN2O — CID 171182135

IUPAC1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine
SMILESCC(C)Oc1ccccc1[C@@H](CF)N1CCNCC1
InChIInChI=1S/C15H23FN2O/c1-12(2)19-15-6-4-3-5-13(15)14(11-16)18-9-7-17-8-10-18/h3-6,12,14,17H,7-11H2,1-2H3/t14-/m1/s1
InChIKeyOYAVQDQMSOPDME-CQSZACIVSA-N
MW266.36 g/mol
LogP2.39
Rot. Bonds5

About 1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine

1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine (PubChem CID 171182135) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine
PubChem CID171182135
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine
SMILESCC(C)Oc1ccccc1[C@@H](CF)N1CCNCC1
InChIInChI=1S/C15H23FN2O/c1-12(2)19-15-6-4-3-5-13(15)14(11-16)18-9-7-17-8-10-18/h3-6,12,14,17H,7-11H2,1-2H3/t14-/m1/s1
InChIKeyOYAVQDQMSOPDME-CQSZACIVSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine
CID 171166965
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine
CID 171311153
1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine
CID 131345100
1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182531
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177496
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[(1S)-1-(2,3-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181800
1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 171182676
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166984
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171172317

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine (CID 171182135) is 1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine is CC(C)Oc1ccccc1[C@@H](CF)N1CCNCC1.
What is the InChIKey of 1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine?
The InChIKey is OYAVQDQMSOPDME-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12(2)19-15-6-4-3-5-13(15)14(11-16)18-9-7-17-8-10-18/h3-6,12,14,17H,7-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine?
1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine has a molecular weight of 266.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine is sourced from PubChem (CID 171182135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).