1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine

C15H23FN2 — CID 171164269

IUPAC1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine
SMILESCc1cccc(C)c1[C@H](CCF)N1CCNCC1
InChIInChI=1S/C15H23FN2/c1-12-4-3-5-13(2)15(12)14(6-7-16)18-10-8-17-9-11-18/h3-5,14,17H,6-11H2,1-2H3/t14-/m0/s1
InChIKeyXMDSGDKNRXASLF-AWEZNQCLSA-N
MW250.36 g/mol
LogP2.61
Rot. Bonds4

About 1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine

1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine (PubChem CID 171164269) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine
PubChem CID171164269
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine
SMILESCc1cccc(C)c1[C@H](CCF)N1CCNCC1
InChIInChI=1S/C15H23FN2/c1-12-4-3-5-13(2)15(12)14(6-7-16)18-10-8-17-9-11-18/h3-5,14,17H,6-11H2,1-2H3/t14-/m0/s1
InChIKeyXMDSGDKNRXASLF-AWEZNQCLSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine
CID 171166861
1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171172193
1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine
CID 171162697
1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
CID 171171813
2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride
CID 171167951
(3S)-3-(2,6-dimethylphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306027
1-[(1S)-3-fluoro-1-(2,3,6-trifluorophenyl)propyl]piperazine
CID 171164693
1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 171169540
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
1-[(1R)-3-fluoro-1-(2,3,6-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171170090
1-[(1S)-1-(2,3-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181800
1-[(1S)-3-fluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171165540

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine (CID 171164269) is 1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine is Cc1cccc(C)c1[C@H](CCF)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine?
The InChIKey is XMDSGDKNRXASLF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12-4-3-5-13(2)15(12)14(6-7-16)18-10-8-17-9-11-18/h3-5,14,17H,6-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine?
1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine has a molecular weight of 250.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine is sourced from PubChem (CID 171164269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).