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

C20H21FINO — CID 11016205

IUPAC(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1
InChIInChI=1S/C20H21FINO/c21-18-7-5-16(6-8-18)20(24)17-10-13-23(14-11-17)12-9-15-3-1-2-4-19(15)22/h1-8,17H,9-14H2
InChIKeyJREBTSVEMYTHEU-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.57
Rot. Bonds5

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

(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone (PubChem CID 11016205) has the molecular formula C20H21FINO and a molecular weight of 437.30 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
PubChem CID11016205
Molecular FormulaC20H21FINO
Molecular Weight437.30 g/mol
Exact Mass437.07
IUPAC Name(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1
InChIInChI=1S/C20H21FINO/c21-18-7-5-16(6-8-18)20(24)17-10-13-23(14-11-17)12-9-15-3-1-2-4-19(15)22/h1-8,17H,9-14H2
InChIKeyJREBTSVEMYTHEU-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
CID 13180278
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one
CID 10202833
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
CID 71749765
[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 54135393
(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
CID 14882741
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
CID 19690037

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone (CID 11016205) is (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2I)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone?
The InChIKey is JREBTSVEMYTHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FINO/c21-18-7-5-16(6-8-18)20(24)17-10-13-23(14-11-17)12-9-15-3-1-2-4-19(15)22/h1-8,17H,9-14H2.
What are the key properties of (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone has a molecular weight of 437.30 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 11016205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).