8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane

C19H21FN2O — CID 134073949

IUPAC8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(N2CCC3(CC2)CC(c2cccnc2)CO3)cc1
InChIInChI=1S/C19H21FN2O/c20-17-3-5-18(6-4-17)22-10-7-19(8-11-22)12-16(14-23-19)15-2-1-9-21-13-15/h1-6,9,13,16H,7-8,10-12,14H2
InChIKeyTWRQGGIWBJZUBT-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.76
Rot. Bonds2

About 8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane

8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 134073949) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID134073949
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(N2CCC3(CC2)CC(c2cccnc2)CO3)cc1
InChIInChI=1S/C19H21FN2O/c20-17-3-5-18(6-4-17)22-10-7-19(8-11-22)12-16(14-23-19)15-2-1-9-21-13-15/h1-6,9,13,16H,7-8,10-12,14H2
InChIKeyTWRQGGIWBJZUBT-UHFFFAOYSA-N
XLogP3.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane (CID 134073949) is 8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane is Fc1ccc(N2CCC3(CC2)CC(c2cccnc2)CO3)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is TWRQGGIWBJZUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-3-5-18(6-4-17)22-10-7-19(8-11-22)12-16(14-23-19)15-2-1-9-21-13-15/h1-6,9,13,16H,7-8,10-12,14H2.
What are the key properties of 8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 312.39 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 134073949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).