4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine

C11H20FIN2 — CID 166536862

IUPAC4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine
SMILESCCC1CN(CC2(F)CCN(I)CC2)C1
InChIInChI=1S/C11H20FIN2/c1-2-10-7-14(8-10)9-11(12)3-5-15(13)6-4-11/h10H,2-9H2,1H3
InChIKeyLGOVVWZWGIVIAT-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.48
Rot. Bonds3

About 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine

4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine (PubChem CID 166536862) has the molecular formula C11H20FIN2 and a molecular weight of 326.20 g/mol. Its IUPAC name is 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine.

Molecular Properties

Compound Name4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine
PubChem CID166536862
Molecular FormulaC11H20FIN2
Molecular Weight326.20 g/mol
Exact Mass326.07
IUPAC Name4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine
SMILESCCC1CN(CC2(F)CCN(I)CC2)C1
InChIInChI=1S/C11H20FIN2/c1-2-10-7-14(8-10)9-11(12)3-5-15(13)6-4-11/h10H,2-9H2,1H3
InChIKeyLGOVVWZWGIVIAT-UHFFFAOYSA-N
XLogP2.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine?
The IUPAC name of 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine (CID 166536862) is 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine.
What is the SMILES notation for 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine?
The canonical SMILES for 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine is CCC1CN(CC2(F)CCN(I)CC2)C1.
What is the InChIKey of 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine?
The InChIKey is LGOVVWZWGIVIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FIN2/c1-2-10-7-14(8-10)9-11(12)3-5-15(13)6-4-11/h10H,2-9H2,1H3.
What are the key properties of 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine?
4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine has a molecular weight of 326.20 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylazetidin-1-yl)methyl]-4-fluoro-1-iodopiperidine is sourced from PubChem (CID 166536862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).