4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine

C18H20FN3 — CID 15020772

IUPAC4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1ccc(-c2cc(N3CCNCC3)nc3c2CCC3)cc1
InChIInChI=1S/C18H20FN3/c19-14-6-4-13(5-7-14)16-12-18(22-10-8-20-9-11-22)21-17-3-1-2-15(16)17/h4-7,12,20H,1-3,8-11H2
InChIKeyIQPXKQMBABFTED-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.79
Rot. Bonds2

About 4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine

4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 15020772) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID15020772
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1ccc(-c2cc(N3CCNCC3)nc3c2CCC3)cc1
InChIInChI=1S/C18H20FN3/c19-14-6-4-13(5-7-14)16-12-18(22-10-8-20-9-11-22)21-17-3-1-2-15(16)17/h4-7,12,20H,1-3,8-11H2
InChIKeyIQPXKQMBABFTED-UHFFFAOYSA-N
XLogP2.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 15020772) is 4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine is Fc1ccc(-c2cc(N3CCNCC3)nc3c2CCC3)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is IQPXKQMBABFTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c19-14-6-4-13(5-7-14)16-12-18(22-10-8-20-9-11-22)21-17-3-1-2-15(16)17/h4-7,12,20H,1-3,8-11H2.
What are the key properties of 4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 297.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 15020772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).