(1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane

C12H15FN2 — CID 129349340

IUPAC(1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane
SMILESFc1cnccc1CN1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C12H15FN2/c13-12-6-14-4-3-10(12)8-15-7-9-1-2-11(15)5-9/h3-4,6,9,11H,1-2,5,7-8H2/t9-,11-/m0/s1
InChIKeyPENUYDOBJDPUPB-ONGXEEELSA-N
MW206.26 g/mol
LogP2.20
Rot. Bonds2

About (1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane

(1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane (PubChem CID 129349340) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is (1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane
PubChem CID129349340
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name(1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane
SMILESFc1cnccc1CN1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C12H15FN2/c13-12-6-14-4-3-10(12)8-15-7-9-1-2-11(15)5-9/h3-4,6,9,11H,1-2,5,7-8H2/t9-,11-/m0/s1
InChIKeyPENUYDOBJDPUPB-ONGXEEELSA-N
XLogP2.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane (CID 129349340) is (1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane is Fc1cnccc1CN1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane?
The InChIKey is PENUYDOBJDPUPB-ONGXEEELSA-N. The full InChI is InChI=1S/C12H15FN2/c13-12-6-14-4-3-10(12)8-15-7-9-1-2-11(15)5-9/h3-4,6,9,11H,1-2,5,7-8H2/t9-,11-/m0/s1.
What are the key properties of (1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane?
(1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane has a molecular weight of 206.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-[(3-fluoro-4-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 129349340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).