1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride

C15H24ClFN2O2 — CID 171163017

IUPAC1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
SMILESCOc1cccc([C@H](CCF)N2CCNCC2)c1OC.Cl
InChIInChI=1S/C15H23FN2O2.ClH/c1-19-14-5-3-4-12(15(14)20-2)13(6-7-16)18-10-8-17-9-11-18;/h3-5,13,17H,6-11H2,1-2H3;1H/t13-;/m0./s1
InChIKeyNHKXCLKMWDVBKM-ZOWNYOTGSA-N
MW318.82 g/mol
LogP2.43
Rot. Bonds6

About 1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride

1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride (PubChem CID 171163017) has the molecular formula C15H24ClFN2O2 and a molecular weight of 318.82 g/mol. Its IUPAC name is 1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
PubChem CID171163017
Molecular FormulaC15H24ClFN2O2
Molecular Weight318.82 g/mol
Exact Mass318.15
IUPAC Name1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
SMILESCOc1cccc([C@H](CCF)N2CCNCC2)c1OC.Cl
InChIInChI=1S/C15H23FN2O2.ClH/c1-19-14-5-3-4-12(15(14)20-2)13(6-7-16)18-10-8-17-9-11-18;/h3-5,13,17H,6-11H2,1-2H3;1H/t13-;/m0./s1
InChIKeyNHKXCLKMWDVBKM-ZOWNYOTGSA-N
XLogP2.43
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
CID 171168476
1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170313
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride
CID 171167951
1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182531
1-[(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171302441
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171287847
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310774
1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
CID 171164843

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride (CID 171163017) is 1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride is COc1cccc([C@H](CCF)N2CCNCC2)c1OC.Cl.
What is the InChIKey of 1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride?
The InChIKey is NHKXCLKMWDVBKM-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H23FN2O2.ClH/c1-19-14-5-3-4-12(15(14)20-2)13(6-7-16)18-10-8-17-9-11-18;/h3-5,13,17H,6-11H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of 1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride?
1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride has a molecular weight of 318.82 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171163017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).