(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine

C12H17FN2 — CID 121448830

IUPAC(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
SMILESCc1cc(N2CCNC[C@@H]2C)ccc1F
InChIInChI=1S/C12H17FN2/c1-9-7-11(3-4-12(9)13)15-6-5-14-8-10(15)2/h3-4,7,10,14H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyJSMDYYKNLKUMIK-JTQLQIEISA-N
MW208.28 g/mol
LogP1.93
Rot. Bonds1

About (2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine

(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine (PubChem CID 121448830) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is (2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
PubChem CID121448830
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
SMILESCc1cc(N2CCNC[C@@H]2C)ccc1F
InChIInChI=1S/C12H17FN2/c1-9-7-11(3-4-12(9)13)15-6-5-14-8-10(15)2/h3-4,7,10,14H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyJSMDYYKNLKUMIK-JTQLQIEISA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-fluoro-3-methoxyphenyl)-2-methylpiperazine
CID 96908124
1-(3-chloro-4-methylphenyl)-2-methylpiperazine
CID 64939185
2-fluoro-4-[(2S)-2-methylpiperazin-1-yl]benzoic acid
CID 99909361
1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine
CID 103587648
(2R)-2-methyl-1-[3-methyl-4-[(3R)-3-methylpiperazin-1-yl]phenyl]piperazine;hydrochloride
CID 56588406
(2R)-2-methyl-1-[3-methyl-4-[(3S)-3-methylpiperazin-1-yl]phenyl]piperazine;hydrochloride
CID 56588423
(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
CID 59822611
1-(4-bromo-3-chlorophenyl)-2-methylpiperazine
CID 107617353
1-(3-bromo-4-methylphenyl)-2-methyl-1,4-diazepane
CID 82307433
1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine
CID 107594272
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylpiperazine
CID 64931337
2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 69041767

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine?
The IUPAC name of (2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine (CID 121448830) is (2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine.
What is the SMILES notation for (2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine?
The canonical SMILES for (2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine is Cc1cc(N2CCNC[C@@H]2C)ccc1F.
What is the InChIKey of (2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine?
The InChIKey is JSMDYYKNLKUMIK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-7-11(3-4-12(9)13)15-6-5-14-8-10(15)2/h3-4,7,10,14H,5-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine?
(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine has a molecular weight of 208.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine is sourced from PubChem (CID 121448830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).