3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one

C14H25FN2O — CID 67034859

IUPAC3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one
SMILESCC(C)(C)C1CCCN(C2CNCCC2F)C1=O
InChIInChI=1S/C14H25FN2O/c1-14(2,3)10-5-4-8-17(13(10)18)12-9-16-7-6-11(12)15/h10-12,16H,4-9H2,1-3H3
InChIKeyDJRWIQNNWYBJRP-UHFFFAOYSA-N
MW256.36 g/mol
LogP1.97
Rot. Bonds1

About 3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one

3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one (PubChem CID 67034859) has the molecular formula C14H25FN2O and a molecular weight of 256.36 g/mol. Its IUPAC name is 3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one
PubChem CID67034859
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one
SMILESCC(C)(C)C1CCCN(C2CNCCC2F)C1=O
InChIInChI=1S/C14H25FN2O/c1-14(2,3)10-5-4-8-17(13(10)18)12-9-16-7-6-11(12)15/h10-12,16H,4-9H2,1-3H3
InChIKeyDJRWIQNNWYBJRP-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one?
The IUPAC name of 3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one (CID 67034859) is 3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one.
What is the SMILES notation for 3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one?
The canonical SMILES for 3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one is CC(C)(C)C1CCCN(C2CNCCC2F)C1=O.
What is the InChIKey of 3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one?
The InChIKey is DJRWIQNNWYBJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-14(2,3)10-5-4-8-17(13(10)18)12-9-16-7-6-11(12)15/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one?
3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one has a molecular weight of 256.36 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(4-fluoropiperidin-3-yl)piperidin-2-one is sourced from PubChem (CID 67034859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).