(3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone

C11H19FN2O — CID 69185737

IUPAC(3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCCC(F)C1
InChIInChI=1S/C11H19FN2O/c12-10-4-2-6-14(8-10)11(15)9-3-1-5-13-7-9/h9-10,13H,1-8H2
InChIKeyOJQWRIYYOHYZCJ-UHFFFAOYSA-N
MW214.28 g/mol
LogP0.95
Rot. Bonds1

About (3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone

(3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone (PubChem CID 69185737) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is (3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone
PubChem CID69185737
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name(3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCCC(F)C1
InChIInChI=1S/C11H19FN2O/c12-10-4-2-6-14(8-10)11(15)9-3-1-5-13-7-9/h9-10,13H,1-8H2
InChIKeyOJQWRIYYOHYZCJ-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone?
The IUPAC name of (3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone (CID 69185737) is (3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCCC(F)C1.
What is the InChIKey of (3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone?
The InChIKey is OJQWRIYYOHYZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c12-10-4-2-6-14(8-10)11(15)9-3-1-5-13-7-9/h9-10,13H,1-8H2.
What are the key properties of (3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone?
(3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone has a molecular weight of 214.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropiperidin-1-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 69185737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).