[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone

C24H28FNO2 — CID 53150647

IUPAC[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCC(CCOCc2cccc(F)c2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C24H28FNO2/c25-22-8-4-5-20(17-22)18-28-16-11-19-9-14-26(15-10-19)23(27)24(12-13-24)21-6-2-1-3-7-21/h1-8,17,19H,9-16,18H2
InChIKeySBCFTPPVXODQLB-UHFFFAOYSA-N
MW381.49 g/mol
LogP4.70
Rot. Bonds7

About [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone

[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 53150647) has the molecular formula C24H28FNO2 and a molecular weight of 381.49 g/mol. Its IUPAC name is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID53150647
Molecular FormulaC24H28FNO2
Molecular Weight381.49 g/mol
Exact Mass381.21
IUPAC Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCC(CCOCc2cccc(F)c2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C24H28FNO2/c25-22-8-4-5-20(17-22)18-28-16-11-19-9-14-26(15-10-19)23(27)24(12-13-24)21-6-2-1-3-7-21/h1-8,17,19H,9-16,18H2
InChIKeySBCFTPPVXODQLB-UHFFFAOYSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 54.70
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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Related Compounds

(2-Fluorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 4963714
1-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-2-phenyl-ethanone
CID 10549679
(4-(2-(4-fluorophenyl)cyclopropanecarbonyl)piperazin-1-yl)(4-phenyltetrahydro-2H-pyran-4-yl)methanone
CID 45587851
(4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone
CID 49677779
1-(4-((Benzyloxy)methyl)piperidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 49677786
Cyclopropyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
CID 53037944
Cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
CID 53037945
(4-Fluorophenyl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
CID 53037951
2-Cyclopentyl-1-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
CID 53150601
1-(4-{2-[(4-Fluorophenyl)methoxy]ethyl}piperidin-1-YL)-3-methylbutan-1-one
CID 53150602
1-(4-{2-[(4-Fluorophenyl)methoxy]ethyl}piperidin-1-YL)-3,3-dimethylbutan-1-one
CID 53150603
(2,5-Difluorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
CID 53150604

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 53150647) is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone is O=C(N1CCC(CCOCc2cccc(F)c2)CC1)C1(c2ccccc2)CC1.
What is the InChIKey of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is SBCFTPPVXODQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO2/c25-22-8-4-5-20(17-22)18-28-16-11-19-9-14-26(15-10-19)23(27)24(12-13-24)21-6-2-1-3-7-21/h1-8,17,19H,9-16,18H2.
What are the key properties of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 381.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 53150647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).