1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine

C14H21FN2O — CID 171164771

IUPAC1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
SMILESCC[C@@H](c1ccc(F)cc1OC)N1CCNCC1
InChIInChI=1S/C14H21FN2O/c1-3-13(17-8-6-16-7-9-17)12-5-4-11(15)10-14(12)18-2/h4-5,10,13,16H,3,6-9H2,1-2H3/t13-/m0/s1
InChIKeyPLQAEXFVKHIESJ-ZDUSSCGKSA-N
MW252.33 g/mol
LogP2.19
Rot. Bonds4

About 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine

1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine (PubChem CID 171164771) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
PubChem CID171164771
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
SMILESCC[C@@H](c1ccc(F)cc1OC)N1CCNCC1
InChIInChI=1S/C14H21FN2O/c1-3-13(17-8-6-16-7-9-17)12-5-4-11(15)10-14(12)18-2/h4-5,10,13,16H,3,6-9H2,1-2H3/t13-/m0/s1
InChIKeyPLQAEXFVKHIESJ-ZDUSSCGKSA-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-[(1R)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171170122
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310391
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine
CID 171281332
4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171299716
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170213
1-[(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171284340
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295369
1-[(1R)-1-(4-fluoro-2-methoxyphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171170036
1-[(1S)-1-(2,5-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171277042
(3R)-3-(5-fluoro-2-methoxyphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306811
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171164755

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine (CID 171164771) is 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine is CC[C@@H](c1ccc(F)cc1OC)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine?
The InChIKey is PLQAEXFVKHIESJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-13(17-8-6-16-7-9-17)12-5-4-11(15)10-14(12)18-2/h4-5,10,13,16H,3,6-9H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine?
1-[(1S)-1-(4-fluoro-2-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-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine is sourced from PubChem (CID 171164771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).