4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine

C20H37F2N3O — CID 146528974

IUPAC4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine
SMILESCC(C)(CCC(C)(C)N1CC(N2CCOCC2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C20H37F2N3O/c1-18(2,24-9-7-20(21,22)8-10-24)5-6-19(3,4)25-15-17(16-25)23-11-13-26-14-12-23/h17H,5-16H2,1-4H3
InChIKeyRXEOMXJWHHQWAR-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.07
Rot. Bonds6

About 4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine

4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine (PubChem CID 146528974) has the molecular formula C20H37F2N3O and a molecular weight of 373.53 g/mol. Its IUPAC name is 4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine
PubChem CID146528974
Molecular FormulaC20H37F2N3O
Molecular Weight373.53 g/mol
Exact Mass373.29
IUPAC Name4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine
SMILESCC(C)(CCC(C)(C)N1CC(N2CCOCC2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C20H37F2N3O/c1-18(2,24-9-7-20(21,22)8-10-24)5-6-19(3,4)25-15-17(16-25)23-11-13-26-14-12-23/h17H,5-16H2,1-4H3
InChIKeyRXEOMXJWHHQWAR-UHFFFAOYSA-N
XLogP3.07
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine?
The IUPAC name of 4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine (CID 146528974) is 4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine is CC(C)(CCC(C)(C)N1CC(N2CCOCC2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of 4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine?
The InChIKey is RXEOMXJWHHQWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F2N3O/c1-18(2,24-9-7-20(21,22)8-10-24)5-6-19(3,4)25-15-17(16-25)23-11-13-26-14-12-23/h17H,5-16H2,1-4H3.
What are the key properties of 4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine?
4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine has a molecular weight of 373.53 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(4,4-difluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]azetidin-3-yl]morpholine is sourced from PubChem (CID 146528974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).