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

C14H23Cl2FN2O — CID 171287830

IUPAC1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@H](c1cccc(F)c1OC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H21FN2O.2ClH/c1-3-13(17-9-7-16-8-10-17)11-5-4-6-12(15)14(11)18-2;;/h4-6,13,16H,3,7-10H2,1-2H3;2*1H/t13-;;/m1../s1
InChIKeyFFLQKYWCUVPQGH-FFXKMJQXSA-N
MW325.26 g/mol
LogP3.03
Rot. Bonds4

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

1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride (PubChem CID 171287830) has the molecular formula C14H23Cl2FN2O and a molecular weight of 325.26 g/mol. Its IUPAC name is 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride
PubChem CID171287830
Molecular FormulaC14H23Cl2FN2O
Molecular Weight325.26 g/mol
Exact Mass324.12
IUPAC Name1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@H](c1cccc(F)c1OC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H21FN2O.2ClH/c1-3-13(17-9-7-16-8-10-17)11-5-4-6-12(15)14(11)18-2;;/h4-6,13,16H,3,7-10H2,1-2H3;2*1H/t13-;;/m1../s1
InChIKeyFFLQKYWCUVPQGH-FFXKMJQXSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171287847
(2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174278
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310774
1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171163509
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304391
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine
CID 171168874
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
CID 171164114
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170213
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)propyl]piperazine
CID 171172230
2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171281629
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295369
1-[(1S)-1-(3-bromo-2-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171276688

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride (CID 171287830) is 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride is CC[C@H](c1cccc(F)c1OC)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride?
The InChIKey is FFLQKYWCUVPQGH-FFXKMJQXSA-N. The full InChI is InChI=1S/C14H21FN2O.2ClH/c1-3-13(17-9-7-16-8-10-17)11-5-4-6-12(15)14(11)18-2;;/h4-6,13,16H,3,7-10H2,1-2H3;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride has a molecular weight of 325.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).