N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine

C12H16FN3O — CID 121229442

IUPACN-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESFc1cccnc1NC1COC2(CCNC2)C1
InChIInChI=1S/C12H16FN3O/c13-10-2-1-4-15-11(10)16-9-6-12(17-7-9)3-5-14-8-12/h1-2,4,9,14H,3,5-8H2,(H,15,16)
InChIKeyFQFHPHPQJXWYRC-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.15
Rot. Bonds2

About N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine

N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 121229442) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID121229442
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC NameN-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESFc1cccnc1NC1COC2(CCNC2)C1
InChIInChI=1S/C12H16FN3O/c13-10-2-1-4-15-11(10)16-9-6-12(17-7-9)3-5-14-8-12/h1-2,4,9,14H,3,5-8H2,(H,15,16)
InChIKeyFQFHPHPQJXWYRC-UHFFFAOYSA-N
XLogP1.15
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 121229442) is N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine is Fc1cccnc1NC1COC2(CCNC2)C1.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is FQFHPHPQJXWYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-2-1-4-15-11(10)16-9-6-12(17-7-9)3-5-14-8-12/h1-2,4,9,14H,3,5-8H2,(H,15,16).
What are the key properties of N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 237.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 121229442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).