(2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride

C11H16ClFN2 — CID 171194333

IUPAC(2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride
SMILESCc1cc([C@@H]2CNCCN2)ccc1F.Cl
InChIInChI=1S/C11H15FN2.ClH/c1-8-6-9(2-3-10(8)12)11-7-13-4-5-14-11;/h2-3,6,11,13-14H,4-5,7H2,1H3;1H/t11-;/m0./s1
InChIKeyCCCNNKWPIUBEBT-MERQFXBCSA-N
MW230.71 g/mol
LogP1.79
Rot. Bonds1

About (2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride

(2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride (PubChem CID 171194333) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride
PubChem CID171194333
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name(2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride
SMILESCc1cc([C@@H]2CNCCN2)ccc1F.Cl
InChIInChI=1S/C11H15FN2.ClH/c1-8-6-9(2-3-10(8)12)11-7-13-4-5-14-11;/h2-3,6,11,13-14H,4-5,7H2,1H3;1H/t11-;/m0./s1
InChIKeyCCCNNKWPIUBEBT-MERQFXBCSA-N
XLogP1.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
CID 171193540
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine
CID 171193656
2-fluoro-4-[(2R)-piperazin-2-yl]phenol
CID 130910870
2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine
CID 91666755
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
(2S)-2-(4-methyl-3-nitrophenyl)piperazine;hydrochloride
CID 171193790
(2R)-2-(2-fluoro-6-methylphenyl)piperazine
CID 131128781
6-[(2R)-piperazin-2-yl]-1H-indole;hydrochloride
CID 171194380
6-[(2S)-piperazin-2-yl]-1H-indole;hydrochloride
CID 171193744
(2R)-2-(4-methyl-3-nitrophenyl)piperazine
CID 171194425
3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine
CID 130900633
(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
CID 171194638

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride?
The IUPAC name of (2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride (CID 171194333) is (2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride.
What is the SMILES notation for (2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride?
The canonical SMILES for (2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride is Cc1cc([C@@H]2CNCCN2)ccc1F.Cl.
What is the InChIKey of (2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride?
The InChIKey is CCCNNKWPIUBEBT-MERQFXBCSA-N. The full InChI is InChI=1S/C11H15FN2.ClH/c1-8-6-9(2-3-10(8)12)11-7-13-4-5-14-11;/h2-3,6,11,13-14H,4-5,7H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride?
(2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride has a molecular weight of 230.71 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 171194333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).