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

C21H25FN2 — CID 23377479

IUPAC7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1ccc(CCN2CCC(C3CCc4cccnc43)CC2)cc1
InChIInChI=1S/C21H25FN2/c22-19-6-3-16(4-7-19)9-13-24-14-10-17(11-15-24)20-8-5-18-2-1-12-23-21(18)20/h1-4,6-7,12,17,20H,5,8-11,13-15H2
InChIKeyHOECTCWOMJKWBJ-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.21
Rot. Bonds4

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

7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 23377479) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID23377479
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1ccc(CCN2CCC(C3CCc4cccnc43)CC2)cc1
InChIInChI=1S/C21H25FN2/c22-19-6-3-16(4-7-19)9-13-24-14-10-17(11-15-24)20-8-5-18-2-1-12-23-21(18)20/h1-4,6-7,12,17,20H,5,8-11,13-15H2
InChIKeyHOECTCWOMJKWBJ-UHFFFAOYSA-N
XLogP4.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 23377479) is 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is Fc1ccc(CCN2CCC(C3CCc4cccnc43)CC2)cc1.
What is the InChIKey of 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is HOECTCWOMJKWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2/c22-19-6-3-16(4-7-19)9-13-24-14-10-17(11-15-24)20-8-5-18-2-1-12-23-21(18)20/h1-4,6-7,12,17,20H,5,8-11,13-15H2.
What are the key properties of 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 324.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 23377479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).