5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine

C13H24FIN4O — CID 163542468

IUPAC5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
SMILESNC1CNCC(F)C1N1CCC2(CC1)CN(I)CCO2
InChIInChI=1S/C13H24FIN4O/c14-10-7-17-8-11(16)12(10)18-3-1-13(2-4-18)9-19(15)5-6-20-13/h10-12,17H,1-9,16H2
InChIKeyFCGLKSQSWLSDBZ-UHFFFAOYSA-N
MW398.26 g/mol
LogP0.14
Rot. Bonds1

About 5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine

5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine (PubChem CID 163542468) has the molecular formula C13H24FIN4O and a molecular weight of 398.26 g/mol. Its IUPAC name is 5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
PubChem CID163542468
Molecular FormulaC13H24FIN4O
Molecular Weight398.26 g/mol
Exact Mass398.10
IUPAC Name5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
SMILESNC1CNCC(F)C1N1CCC2(CC1)CN(I)CCO2
InChIInChI=1S/C13H24FIN4O/c14-10-7-17-8-11(16)12(10)18-3-1-13(2-4-18)9-19(15)5-6-20-13/h10-12,17H,1-9,16H2
InChIKeyFCGLKSQSWLSDBZ-UHFFFAOYSA-N
XLogP0.14
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The IUPAC name of 5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine (CID 163542468) is 5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine.
What is the SMILES notation for 5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The canonical SMILES for 5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine is NC1CNCC(F)C1N1CCC2(CC1)CN(I)CCO2.
What is the InChIKey of 5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The InChIKey is FCGLKSQSWLSDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FIN4O/c14-10-7-17-8-11(16)12(10)18-3-1-13(2-4-18)9-19(15)5-6-20-13/h10-12,17H,1-9,16H2.
What are the key properties of 5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine has a molecular weight of 398.26 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-iodo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine is sourced from PubChem (CID 163542468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).