1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine

C15H23FN2O — CID 171164843

IUPAC1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
SMILESCCC[C@@H](c1cccc(OC)c1F)N1CCNCC1
InChIInChI=1S/C15H23FN2O/c1-3-5-13(18-10-8-17-9-11-18)12-6-4-7-14(19-2)15(12)16/h4,6-7,13,17H,3,5,8-11H2,1-2H3/t13-/m0/s1
InChIKeyVNRQKRMTJBBWLM-ZDUSSCGKSA-N
MW266.36 g/mol
LogP2.58
Rot. Bonds5

About 1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine

1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine (PubChem CID 171164843) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
PubChem CID171164843
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
SMILESCCC[C@@H](c1cccc(OC)c1F)N1CCNCC1
InChIInChI=1S/C15H23FN2O/c1-3-5-13(18-10-8-17-9-11-18)12-6-4-7-14(19-2)15(12)16/h4,6-7,13,17H,3,5,8-11H2,1-2H3/t13-/m0/s1
InChIKeyVNRQKRMTJBBWLM-ZDUSSCGKSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170313
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170213
1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182531
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
(4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173679
1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine
CID 171169482
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171290555
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171170282
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171287847
1-[(1S)-1-(3-bromo-2-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171276705
1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
CID 171168476
1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine
CID 171170223

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine (CID 171164843) is 1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine is CCC[C@@H](c1cccc(OC)c1F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine?
The InChIKey is VNRQKRMTJBBWLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-5-13(18-10-8-17-9-11-18)12-6-4-7-14(19-2)15(12)16/h4,6-7,13,17H,3,5,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine?
1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine has a molecular weight of 266.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine is sourced from PubChem (CID 171164843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).