2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol

C15H21FN2O — CID 102893999

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCC(C(O)c1ccc(F)cn1)C1NCC2CCCC21
InChIInChI=1S/C15H21FN2O/c1-9(14-12-4-2-3-10(12)7-18-14)15(19)13-6-5-11(16)8-17-13/h5-6,8-10,12,14-15,18-19H,2-4,7H2,1H3
InChIKeyAXVDIJKIPFVRIH-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.28
Rot. Bonds3

About 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 102893999) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID102893999
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCC(C(O)c1ccc(F)cn1)C1NCC2CCCC21
InChIInChI=1S/C15H21FN2O/c1-9(14-12-4-2-3-10(12)7-18-14)15(19)13-6-5-11(16)8-17-13/h5-6,8-10,12,14-15,18-19H,2-4,7H2,1H3
InChIKeyAXVDIJKIPFVRIH-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol with MolForge

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Related Compounds

2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112586842
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586409
2-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclopentan-1-ol
CID 115891343
3-(4,4-dimethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941620
3-(2-ethylpyrrolidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586348
1-(5-fluoro-2-pyridinyl)-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 106589121
1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79712685
(1S,2R)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122702502
1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanol
CID 79721741
bis(1-fluoro-4-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;methane
CID 158662647
3-(5-fluoro-2-pyridinyl)-4-methylpentan-2-ol
CID 63200803
2-(5-fluoro-2-pyridinyl)-4-methylpentan-3-ol
CID 83128846

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 102893999) is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is CC(C(O)c1ccc(F)cn1)C1NCC2CCCC21.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is AXVDIJKIPFVRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-9(14-12-4-2-3-10(12)7-18-14)15(19)13-6-5-11(16)8-17-13/h5-6,8-10,12,14-15,18-19H,2-4,7H2,1H3.
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 264.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 102893999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).