(2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine

C15H29FN2O — CID 129258297

IUPAC(2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN([C@@H]2CCN(C(C)(C)C)C[C@@H]2F)C[C@H](C)O1
InChIInChI=1S/C15H29FN2O/c1-11-8-17(9-12(2)19-11)14-6-7-18(10-13(14)16)15(3,4)5/h11-14H,6-10H2,1-5H3/t11-,12+,13-,14+/m0/s1
InChIKeyXSKNPTGFIHQNLU-RFQIPJPRSA-N
MW272.41 g/mol
LogP2.31
Rot. Bonds1

About (2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine

(2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 129258297) has the molecular formula C15H29FN2O and a molecular weight of 272.41 g/mol. Its IUPAC name is (2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine
PubChem CID129258297
Molecular FormulaC15H29FN2O
Molecular Weight272.41 g/mol
Exact Mass272.23
IUPAC Name(2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN([C@@H]2CCN(C(C)(C)C)C[C@@H]2F)C[C@H](C)O1
InChIInChI=1S/C15H29FN2O/c1-11-8-17(9-12(2)19-11)14-6-7-18(10-13(14)16)15(3,4)5/h11-14H,6-10H2,1-5H3/t11-,12+,13-,14+/m0/s1
InChIKeyXSKNPTGFIHQNLU-RFQIPJPRSA-N
XLogP2.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine (CID 129258297) is (2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine is C[C@@H]1CN([C@@H]2CCN(C(C)(C)C)C[C@@H]2F)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is XSKNPTGFIHQNLU-RFQIPJPRSA-N. The full InChI is InChI=1S/C15H29FN2O/c1-11-8-17(9-12(2)19-11)14-6-7-18(10-13(14)16)15(3,4)5/h11-14H,6-10H2,1-5H3/t11-,12+,13-,14+/m0/s1.
What are the key properties of (2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine?
(2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 272.41 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 129258297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).