1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine

C14H21FN2 — CID 136575376

IUPAC1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
SMILESCc1cc(CCN2CCN(C)CC2)ccc1F
InChIInChI=1S/C14H21FN2/c1-12-11-13(3-4-14(12)15)5-6-17-9-7-16(2)8-10-17/h3-4,11H,5-10H2,1-2H3
InChIKeyIELLVYFJKGFHRT-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.92
Rot. Bonds3

About 1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine

1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine (PubChem CID 136575376) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
PubChem CID136575376
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
SMILESCc1cc(CCN2CCN(C)CC2)ccc1F
InChIInChI=1S/C14H21FN2/c1-12-11-13(3-4-14(12)15)5-6-17-9-7-16(2)8-10-17/h3-4,11H,5-10H2,1-2H3
InChIKeyIELLVYFJKGFHRT-UHFFFAOYSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethyl]benzonitrile
CID 163390174
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
CID 134846491
1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine
CID 11978616
1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863010
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
CID 143042806
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
CID 115230062
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
2-fluoro-5-[(4-methylpiperazin-1-yl)methyl]aniline
CID 84789213
1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine (CID 136575376) is 1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine is Cc1cc(CCN2CCN(C)CC2)ccc1F.
What is the InChIKey of 1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine?
The InChIKey is IELLVYFJKGFHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-12-11-13(3-4-14(12)15)5-6-17-9-7-16(2)8-10-17/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine?
1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine has a molecular weight of 236.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine is sourced from PubChem (CID 136575376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).