(1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane

C10H17FN2O — CID 170357656

IUPAC(1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESF[C@@H]1CNCC[C@@H]1N1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C10H17FN2O/c11-9-4-12-2-1-10(9)13-5-8-3-7(13)6-14-8/h7-10,12H,1-6H2/t7-,8-,9+,10-/m0/s1
InChIKeyMXSFSDDHFSWJET-QEYWKRMJSA-N
MW200.26 g/mol
LogP0.16
Rot. Bonds1

About (1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane

(1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 170357656) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is (1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID170357656
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name(1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESF[C@@H]1CNCC[C@@H]1N1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C10H17FN2O/c11-9-4-12-2-1-10(9)13-5-8-3-7(13)6-14-8/h7-10,12H,1-6H2/t7-,8-,9+,10-/m0/s1
InChIKeyMXSFSDDHFSWJET-QEYWKRMJSA-N
XLogP0.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 170357656) is (1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane is F[C@@H]1CNCC[C@@H]1N1C[C@@H]2C[C@H]1CO2.
What is the InChIKey of (1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is MXSFSDDHFSWJET-QEYWKRMJSA-N. The full InChI is InChI=1S/C10H17FN2O/c11-9-4-12-2-1-10(9)13-5-8-3-7(13)6-14-8/h7-10,12H,1-6H2/t7-,8-,9+,10-/m0/s1.
What are the key properties of (1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
(1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 200.26 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-5-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 170357656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).