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

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

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Related Compounds

1,2-Dipyridin-2-ylethane-1,2-diol
CID 95513
Phenyl(pyridin-2-yl)methanol
CID 315585
alpha-2-Pyridylpyridine-2-methanol
CID 118763
2F-Viminol
CID 57419227
1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1-yl-ethanol
CID 11231451
(7R,9S)-7-((4-phenylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894430
2-[5-(1-Methylpyrrolidin-2-yl)-2-pyridinyl]-1-phenylethanol
CID 44399089
(7R,9S)-7-(((3S,4S)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 44561020
2-(Hydroxymethyl)-1-(2-phenylethyl)pyridinium
CID 23723137
2-Methyl-1-(pyridin-2-yl)propan-1-ol
CID 15785876
2-Pyridinemethanol, alpha-(1-methyl-2-(1-pyrrolidinyl)ethyl)-alpha-phenyl-
CID 199422
1-Piperidineethanol, alpha-(2-pyridyl)-, D,L-mixture
CID 12452309

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).