1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine

C13H19FN2 — CID 70652464

IUPAC1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
SMILESCCc1ccc(N2CCN(C)CC2)cc1F
InChIInChI=1S/C13H19FN2/c1-3-11-4-5-12(10-13(11)14)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyCLWNMNWLEKDTEV-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.14
Rot. Bonds2

About 1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine

1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine (PubChem CID 70652464) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
PubChem CID70652464
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
SMILESCCc1ccc(N2CCN(C)CC2)cc1F
InChIInChI=1S/C13H19FN2/c1-3-11-4-5-12(10-13(11)14)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyCLWNMNWLEKDTEV-UHFFFAOYSA-N
XLogP2.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-(4-methylpiperazin-1-yl)aniline
CID 39244247
1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
CID 142939329
1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine
CID 143781456
1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane
CID 177032628
[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43320822
[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62945829
[4-(4-methylpiperazin-1-yl)-2-methylsulfonylphenyl]methanol
CID 139564494
[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one
CID 57403295
[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine
CID 113295404

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine?
The IUPAC name of 1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine (CID 70652464) is 1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine?
The canonical SMILES for 1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine is CCc1ccc(N2CCN(C)CC2)cc1F.
What is the InChIKey of 1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine?
The InChIKey is CLWNMNWLEKDTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-11-4-5-12(10-13(11)14)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine?
1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine has a molecular weight of 222.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine is sourced from PubChem (CID 70652464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).