1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine

C13H18F2N2 — CID 95454803

IUPAC1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
SMILESCC[C@@H](c1ccc(F)c(F)c1)N1CCNCC1
InChIInChI=1S/C13H18F2N2/c1-2-13(17-7-5-16-6-8-17)10-3-4-11(14)12(15)9-10/h3-4,9,13,16H,2,5-8H2,1H3/t13-/m0/s1
InChIKeyWUFDXRPJHWLYLM-ZDUSSCGKSA-N
MW240.30 g/mol
LogP2.32
Rot. Bonds3

About 1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine

1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine (PubChem CID 95454803) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
PubChem CID95454803
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
SMILESCC[C@@H](c1ccc(F)c(F)c1)N1CCNCC1
InChIInChI=1S/C13H18F2N2/c1-2-13(17-7-5-16-6-8-17)10-3-4-11(14)12(15)9-10/h3-4,9,13,16H,2,5-8H2,1H3/t13-/m0/s1
InChIKeyWUFDXRPJHWLYLM-ZDUSSCGKSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439
1-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875
1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171277140
1-[(1R)-1-(4-bromo-3-fluorophenyl)propyl]piperazine
CID 171168921
2-fluoro-4-[(1S)-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171162748
1-[(1S)-1-(4-bromo-3-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171275228
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169
1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine
CID 171171672
1-[(1S)-1-(3,4-difluorophenyl)hexyl]piperazine
CID 171166603
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171168816
1-[(1R)-1-(3,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171290631

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine (CID 95454803) is 1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine is CC[C@@H](c1ccc(F)c(F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine?
The InChIKey is WUFDXRPJHWLYLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-2-13(17-7-5-16-6-8-17)10-3-4-11(14)12(15)9-10/h3-4,9,13,16H,2,5-8H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine?
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine has a molecular weight of 240.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine is sourced from PubChem (CID 95454803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).