1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine

C14H20FIN2 — CID 79766663

IUPAC1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccc(F)cc2I)CC1
InChIInChI=1S/C14H20FIN2/c1-2-7-17-12-5-8-18(9-6-12)14-4-3-11(15)10-13(14)16/h3-4,10,12,17H,2,5-9H2,1H3
InChIKeyLXJVGBHTTOCFAN-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine

1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine (PubChem CID 79766663) has the molecular formula C14H20FIN2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine
PubChem CID79766663
Molecular FormulaC14H20FIN2
Molecular Weight362.23 g/mol
Exact Mass362.07
IUPAC Name1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccc(F)cc2I)CC1
InChIInChI=1S/C14H20FIN2/c1-2-7-17-12-5-8-18(9-6-12)14-4-3-11(15)10-13(14)16/h3-4,10,12,17H,2,5-9H2,1H3
InChIKeyLXJVGBHTTOCFAN-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine (CID 79766663) is 1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine is CCCNC1CCN(c2ccc(F)cc2I)CC1.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine?
The InChIKey is LXJVGBHTTOCFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FIN2/c1-2-7-17-12-5-8-18(9-6-12)14-4-3-11(15)10-13(14)16/h3-4,10,12,17H,2,5-9H2,1H3.
What are the key properties of 1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine?
1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine has a molecular weight of 362.23 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 79766663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).