3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol

C14H19FN2O — CID 83126033

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESOC(CCN1CC2CCC1C2)c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O/c15-11-2-4-13(16-8-11)14(18)5-6-17-9-10-1-3-12(17)7-10/h2,4,8,10,12,14,18H,1,3,5-7,9H2
InChIKeyCBRFDCCPDPCAHZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.13
Rot. Bonds4

About 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol

3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 83126033) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID83126033
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESOC(CCN1CC2CCC1C2)c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O/c15-11-2-4-13(16-8-11)14(18)5-6-17-9-10-1-3-12(17)7-10/h2,4,8,10,12,14,18H,1,3,5-7,9H2
InChIKeyCBRFDCCPDPCAHZ-UHFFFAOYSA-N
XLogP2.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 83126033) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is OC(CCN1CC2CCC1C2)c1ccc(F)cn1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is CBRFDCCPDPCAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-11-2-4-13(16-8-11)14(18)5-6-17-9-10-1-3-12(17)7-10/h2,4,8,10,12,14,18H,1,3,5-7,9H2.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 250.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 83126033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).