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

C20H21FINO — CID 11729823

IUPAC(4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCc2cccc(I)c2)CC1
InChIInChI=1S/C20H21FINO/c21-18-6-4-16(5-7-18)20(24)17-9-12-23(13-10-17)11-8-15-2-1-3-19(22)14-15/h1-7,14,17H,8-13H2
InChIKeyQJFCDRQWMDZIGI-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.57
Rot. Bonds5

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

(4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanone (PubChem CID 11729823) has the molecular formula C20H21FINO and a molecular weight of 437.30 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanone
PubChem CID11729823
Molecular FormulaC20H21FINO
Molecular Weight437.30 g/mol
Exact Mass437.07
IUPAC Name(4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCc2cccc(I)c2)CC1
InChIInChI=1S/C20H21FINO/c21-18-6-4-16(5-7-18)20(24)17-9-12-23(13-10-17)11-8-15-2-1-3-19(22)14-15/h1-7,14,17H,8-13H2
InChIKeyQJFCDRQWMDZIGI-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

Tolperisone
CID 5511
Melperone
CID 15387
Eperisone
CID 3236
Melperone hydrochloride
CID 9926325
Lenperone
CID 32593
DuP 734
CID 121967
4-(4-Fluorobenzoyl)piperidine
CID 2724440
1-Phenyl-5-(piperidin-1-yl)pentan-1-one
CID 262634
Primaperone
CID 14641
4-(4-Butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
CID 9948320
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
2-(N-Pyrrolidinyl)-3''-fluoropropiophenone
CID 45141805

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanone (CID 11729823) is (4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(CCc2cccc(I)c2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanone?
The InChIKey is QJFCDRQWMDZIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FINO/c21-18-6-4-16(5-7-18)20(24)17-9-12-23(13-10-17)11-8-15-2-1-3-19(22)14-15/h1-7,14,17H,8-13H2.
What are the key properties of (4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[2-(3-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-(3-iodophenyl)ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 11729823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).