1-[(1R)-1-(4-fluorophenyl)propyl]piperazine

C13H19FN2 — CID 28798751

IUPAC1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
SMILESCC[C@H](c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C13H19FN2/c1-2-13(16-9-7-15-8-10-16)11-3-5-12(14)6-4-11/h3-6,13,15H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyPBWGKTIIMAHBGI-CYBMUJFWSA-N
MW222.31 g/mol
LogP2.18
Rot. Bonds3

About 1-[(1R)-1-(4-fluorophenyl)propyl]piperazine

1-[(1R)-1-(4-fluorophenyl)propyl]piperazine (PubChem CID 28798751) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
PubChem CID28798751
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
SMILESCC[C@H](c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C13H19FN2/c1-2-13(16-9-7-15-8-10-16)11-3-5-12(14)6-4-11/h3-6,13,15H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyPBWGKTIIMAHBGI-CYBMUJFWSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
CID 95454803
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[1-(4-ethoxyphenyl)propyl]piperazine
CID 3597592
4-[(1S)-1-piperazin-1-ylpropyl]benzonitrile;dihydrochloride
CID 171272506
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

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)propyl]piperazine (CID 28798751) is 1-[(1R)-1-(4-fluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)propyl]piperazine is CC[C@H](c1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)propyl]piperazine?
The InChIKey is PBWGKTIIMAHBGI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-13(16-9-7-15-8-10-16)11-3-5-12(14)6-4-11/h3-6,13,15H,2,7-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)propyl]piperazine?
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine has a molecular weight of 222.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)propyl]piperazine is sourced from PubChem (CID 28798751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).