1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine

C14H21FN2O — CID 171170213

IUPAC1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
SMILESCC[C@H](c1cccc(OC)c1F)N1CCNCC1
InChIInChI=1S/C14H21FN2O/c1-3-12(17-9-7-16-8-10-17)11-5-4-6-13(18-2)14(11)15/h4-6,12,16H,3,7-10H2,1-2H3/t12-/m1/s1
InChIKeyBUPQHIXVGDNNIY-GFCCVEGCSA-N
MW252.33 g/mol
LogP2.19
Rot. Bonds4

About 1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine

1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine (PubChem CID 171170213) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
PubChem CID171170213
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
SMILESCC[C@H](c1cccc(OC)c1F)N1CCNCC1
InChIInChI=1S/C14H21FN2O/c1-3-12(17-9-7-16-8-10-17)11-5-4-6-13(18-2)14(11)15/h4-6,12,16H,3,7-10H2,1-2H3/t12-/m1/s1
InChIKeyBUPQHIXVGDNNIY-GFCCVEGCSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
CID 171164843
1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182531
1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170313
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171290555
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
CID 171164114
2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171281629
(4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173679
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171164771
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)propyl]piperazine
CID 171172230
1-[(1R)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171170122
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 171287830
1-[(1S)-1-(3-bromo-2-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171276688

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine (CID 171170213) is 1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine is CC[C@H](c1cccc(OC)c1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine?
The InChIKey is BUPQHIXVGDNNIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-12(17-9-7-16-8-10-17)11-5-4-6-13(18-2)14(11)15/h4-6,12,16H,3,7-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine?
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine has a molecular weight of 252.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine is sourced from PubChem (CID 171170213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).