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

C20H21F2NO2 — CID 53038002

IUPAC[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C20H21F2NO2/c21-16-4-3-5-17(14-16)25-13-10-15-8-11-23(12-9-15)20(24)18-6-1-2-7-19(18)22/h1-7,14-15H,8-13H2
InChIKeyPZBBNDNCBJPHMA-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.29
Rot. Bonds5

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

[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 53038002) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID53038002
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C20H21F2NO2/c21-16-4-3-5-17(14-16)25-13-10-15-8-11-23(12-9-15)20(24)18-6-1-2-7-19(18)22/h1-7,14-15H,8-13H2
InChIKeyPZBBNDNCBJPHMA-UHFFFAOYSA-N
XLogP4.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 53037993
(6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 53150756
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151002
N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 91903818
1-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]ethanone
CID 53150747
(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150855
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 1072062
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 80667822

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone (CID 53038002) is [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCC(CCOc2cccc(F)c2)CC1.
What is the InChIKey of [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is PZBBNDNCBJPHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c21-16-4-3-5-17(14-16)25-13-10-15-8-11-23(12-9-15)20(24)18-6-1-2-7-19(18)22/h1-7,14-15H,8-13H2.
What are the key properties of [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone?
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 345.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 53038002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).