(2S)-2-(2-fluorophenyl)-1-methylpiperazine

C11H15FN2 — CID 28804930

IUPAC(2S)-2-(2-fluorophenyl)-1-methylpiperazine
SMILESCN1CCNC[C@@H]1c1ccccc1F
InChIInChI=1S/C11H15FN2/c1-14-7-6-13-8-11(14)9-4-2-3-5-10(9)12/h2-5,11,13H,6-8H2,1H3/t11-/m1/s1
InChIKeyXDEGAOYPBFQQAL-LLVKDONJSA-N
MW194.25 g/mol
LogP1.40
Rot. Bonds1

About (2S)-2-(2-fluorophenyl)-1-methylpiperazine

(2S)-2-(2-fluorophenyl)-1-methylpiperazine (PubChem CID 28804930) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)-1-methylpiperazine.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)-1-methylpiperazine
PubChem CID28804930
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(2S)-2-(2-fluorophenyl)-1-methylpiperazine
SMILESCN1CCNC[C@@H]1c1ccccc1F
InChIInChI=1S/C11H15FN2/c1-14-7-6-13-8-11(14)9-4-2-3-5-10(9)12/h2-5,11,13H,6-8H2,1H3/t11-/m1/s1
InChIKeyXDEGAOYPBFQQAL-LLVKDONJSA-N
XLogP1.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-methyl-1,4-diazepane
CID 82395310
(2R)-2-(2-fluorophenyl)-1-phenyl-1,4-diazepane
CID 124565927
(7R)-7-(2-fluorophenyl)-1-phenyl-1,4-diazepane
CID 124565899
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)piperazin-1-yl]methanone
CID 118016919
6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole
CID 82666808
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
CID 83325529
3-(1-methylpiperazin-2-yl)phenol
CID 55262595
5-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958308
5-[2-(2-fluorophenyl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956329
5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960912

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)-1-methylpiperazine?
The IUPAC name of (2S)-2-(2-fluorophenyl)-1-methylpiperazine (CID 28804930) is (2S)-2-(2-fluorophenyl)-1-methylpiperazine.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)-1-methylpiperazine?
The canonical SMILES for (2S)-2-(2-fluorophenyl)-1-methylpiperazine is CN1CCNC[C@@H]1c1ccccc1F.
What is the InChIKey of (2S)-2-(2-fluorophenyl)-1-methylpiperazine?
The InChIKey is XDEGAOYPBFQQAL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15FN2/c1-14-7-6-13-8-11(14)9-4-2-3-5-10(9)12/h2-5,11,13H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)-1-methylpiperazine?
(2S)-2-(2-fluorophenyl)-1-methylpiperazine has a molecular weight of 194.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)-1-methylpiperazine is sourced from PubChem (CID 28804930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).