1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine

C15H23FN2O — CID 171182676

IUPAC1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine
SMILESCC(C)Oc1ccc([C@H](CF)N2CCNCC2)cc1
InChIInChI=1S/C15H23FN2O/c1-12(2)19-14-5-3-13(4-6-14)15(11-16)18-9-7-17-8-10-18/h3-6,12,15,17H,7-11H2,1-2H3/t15-/m0/s1
InChIKeyZJLXNXBISSSLEL-HNNXBMFYSA-N
MW266.36 g/mol
LogP2.39
Rot. Bonds5

About 1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine

1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine (PubChem CID 171182676) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine
PubChem CID171182676
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine
SMILESCC(C)Oc1ccc([C@H](CF)N2CCNCC2)cc1
InChIInChI=1S/C15H23FN2O/c1-12(2)19-14-5-3-13(4-6-14)15(11-16)18-9-7-17-8-10-18/h3-6,12,15,17H,7-11H2,1-2H3/t15-/m0/s1
InChIKeyZJLXNXBISSSLEL-HNNXBMFYSA-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-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride
CID 171180814
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
(3S)-3-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171189675
[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171291647
1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171283231
1-[(1R)-2-fluoro-1-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171182554
1-[(1S)-1-[4-(difluoromethoxy)phenyl]-3-methylbutyl]piperazine;dihydrochloride
CID 171278259
1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182615
1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine
CID 95477475
1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
CID 131476591
1-[(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]piperazine;hydrochloride
CID 171182597

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine (CID 171182676) is 1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine is CC(C)Oc1ccc([C@H](CF)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine?
The InChIKey is ZJLXNXBISSSLEL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12(2)19-14-5-3-13(4-6-14)15(11-16)18-9-7-17-8-10-18/h3-6,12,15,17H,7-11H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine?
1-[(1R)-2-fluoro-1-(4-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-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine is sourced from PubChem (CID 171182676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).