2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone

C21H30FNO2 — CID 53150662

IUPAC2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(CCOCc2ccccc2F)CC1
InChIInChI=1S/C21H30FNO2/c22-20-8-4-3-7-19(20)16-25-14-11-17-9-12-23(13-10-17)21(24)15-18-5-1-2-6-18/h3-4,7-8,17-18H,1-2,5-6,9-16H2
InChIKeyNLUZIYOFKDSFAB-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.55
Rot. Bonds7

About 2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone (PubChem CID 53150662) has the molecular formula C21H30FNO2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
PubChem CID53150662
Molecular FormulaC21H30FNO2
Molecular Weight347.47 g/mol
Exact Mass347.23
IUPAC Name2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(CCOCc2ccccc2F)CC1
InChIInChI=1S/C21H30FNO2/c22-20-8-4-3-7-19(20)16-25-14-11-17-9-12-23(13-10-17)21(24)15-18-5-1-2-6-18/h3-4,7-8,17-18H,1-2,5-6,9-16H2
InChIKeyNLUZIYOFKDSFAB-UHFFFAOYSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone (CID 53150662) is 2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(CCOCc2ccccc2F)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone?
The InChIKey is NLUZIYOFKDSFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO2/c22-20-8-4-3-7-19(20)16-25-14-11-17-9-12-23(13-10-17)21(24)15-18-5-1-2-6-18/h3-4,7-8,17-18H,1-2,5-6,9-16H2.
What are the key properties of 2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone has a molecular weight of 347.47 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53150662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).