(4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone

C14H18F2N4O2 — CID 163349113

IUPAC(4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone
SMILESO=C(C1CN(c2cnccn2)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H18F2N4O2/c15-14(16)1-5-19(6-2-14)13(21)11-10-20(7-8-22-11)12-9-17-3-4-18-12/h3-4,9,11H,1-2,5-8,10H2
InChIKeyCZDIUEGNKQEKDE-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.94
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone

(4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone (PubChem CID 163349113) has the molecular formula C14H18F2N4O2 and a molecular weight of 312.32 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone
PubChem CID163349113
Molecular FormulaC14H18F2N4O2
Molecular Weight312.32 g/mol
Exact Mass312.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone
SMILESO=C(C1CN(c2cnccn2)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H18F2N4O2/c15-14(16)1-5-19(6-2-14)13(21)11-10-20(7-8-22-11)12-9-17-3-4-18-12/h3-4,9,11H,1-2,5-8,10H2
InChIKeyCZDIUEGNKQEKDE-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone (CID 163349113) is (4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone is O=C(C1CN(c2cnccn2)CCO1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone?
The InChIKey is CZDIUEGNKQEKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O2/c15-14(16)1-5-19(6-2-14)13(21)11-10-20(7-8-22-11)12-9-17-3-4-18-12/h3-4,9,11H,1-2,5-8,10H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone has a molecular weight of 312.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(4-pyrazin-2-ylmorpholin-2-yl)methanone is sourced from PubChem (CID 163349113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).