(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone

C12H13FINO — CID 103615017

IUPAC(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc(F)cc1I)N1CCCCC1
InChIInChI=1S/C12H13FINO/c13-9-4-5-10(11(14)8-9)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKeyZTPVRPSKXZWYHT-UHFFFAOYSA-N
MW333.14 g/mol
LogP3.06
Rot. Bonds1

About (4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone

(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone (PubChem CID 103615017) has the molecular formula C12H13FINO and a molecular weight of 333.14 g/mol. Its IUPAC name is (4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
PubChem CID103615017
Molecular FormulaC12H13FINO
Molecular Weight333.14 g/mol
Exact Mass333.00
IUPAC Name(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc(F)cc1I)N1CCCCC1
InChIInChI=1S/C12H13FINO/c13-9-4-5-10(11(14)8-9)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKeyZTPVRPSKXZWYHT-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
CID 103617048
(4-fluoro-2-iodophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87030189
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646487
(2-iodo-4-methylphenyl)-piperidin-1-ylmethanone
CID 100523046
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344059
aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone
CID 130874927
(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
CID 113236236
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 103806148

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone (CID 103615017) is (4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone is O=C(c1ccc(F)cc1I)N1CCCCC1.
What is the InChIKey of (4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone?
The InChIKey is ZTPVRPSKXZWYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FINO/c13-9-4-5-10(11(14)8-9)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2.
What are the key properties of (4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone?
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone has a molecular weight of 333.14 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 103615017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).