5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine

C21H24FN3 — CID 22037986

IUPAC5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine
SMILESCC1=C2NC=CN=C2C(=C2CCN(CCc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H24FN3/c1-15-14-19(21-20(15)23-9-10-24-21)17-7-12-25(13-8-17)11-6-16-2-4-18(22)5-3-16/h2-5,9-10,23H,6-8,11-14H2,1H3
InChIKeyRWKLPZLLFSXKOV-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.95
Rot. Bonds3

About 5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine

5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine (PubChem CID 22037986) has the molecular formula C21H24FN3 and a molecular weight of 337.44 g/mol. Its IUPAC name is 5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine.

Molecular Properties

Compound Name5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine
PubChem CID22037986
Molecular FormulaC21H24FN3
Molecular Weight337.44 g/mol
Exact Mass337.20
IUPAC Name5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine
SMILESCC1=C2NC=CN=C2C(=C2CCN(CCc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H24FN3/c1-15-14-19(21-20(15)23-9-10-24-21)17-7-12-25(13-8-17)11-6-16-2-4-18(22)5-3-16/h2-5,9-10,23H,6-8,11-14H2,1H3
InChIKeyRWKLPZLLFSXKOV-UHFFFAOYSA-N
XLogP3.95
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine?
The IUPAC name of 5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine (CID 22037986) is 5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine.
What is the SMILES notation for 5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine?
The canonical SMILES for 5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine is CC1=C2NC=CN=C2C(=C2CCN(CCc3ccc(F)cc3)CC2)C1.
What is the InChIKey of 5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine?
The InChIKey is RWKLPZLLFSXKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3/c1-15-14-19(21-20(15)23-9-10-24-21)17-7-12-25(13-8-17)11-6-16-2-4-18(22)5-3-16/h2-5,9-10,23H,6-8,11-14H2,1H3.
What are the key properties of 5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine?
5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine has a molecular weight of 337.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine is sourced from PubChem (CID 22037986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).