2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine

C17H32F2N2O — CID 177331239

IUPAC2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine
SMILESCC(CCC1(C)CN(C)CC(C)(C)O1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H32F2N2O/c1-14(21-10-8-17(18,19)9-11-21)6-7-16(4)13-20(5)12-15(2,3)22-16/h14H,6-13H2,1-5H3
InChIKeyWLKRDAIBYCLKNB-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.39
Rot. Bonds4

About 2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine

2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine (PubChem CID 177331239) has the molecular formula C17H32F2N2O and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine
PubChem CID177331239
Molecular FormulaC17H32F2N2O
Molecular Weight318.45 g/mol
Exact Mass318.25
IUPAC Name2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine
SMILESCC(CCC1(C)CN(C)CC(C)(C)O1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H32F2N2O/c1-14(21-10-8-17(18,19)9-11-21)6-7-16(4)13-20(5)12-15(2,3)22-16/h14H,6-13H2,1-5H3
InChIKeyWLKRDAIBYCLKNB-UHFFFAOYSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine?
The IUPAC name of 2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine (CID 177331239) is 2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine.
What is the SMILES notation for 2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine?
The canonical SMILES for 2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine is CC(CCC1(C)CN(C)CC(C)(C)O1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine?
The InChIKey is WLKRDAIBYCLKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2O/c1-14(21-10-8-17(18,19)9-11-21)6-7-16(4)13-20(5)12-15(2,3)22-16/h14H,6-13H2,1-5H3.
What are the key properties of 2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine?
2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine has a molecular weight of 318.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-difluoropiperidin-1-yl)butyl]-2,4,6,6-tetramethylmorpholine is sourced from PubChem (CID 177331239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).