4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine

C19H28F2N2O2 — CID 70706548

IUPAC4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCOc1ccc(CN2CCC(C(C)N3CCOCC3)CC2)c(F)c1F
InChIInChI=1S/C19H28F2N2O2/c1-14(23-9-11-25-12-10-23)15-5-7-22(8-6-15)13-16-3-4-17(24-2)19(21)18(16)20/h3-4,14-15H,5-13H2,1-2H3
InChIKeyLFELNSSZURZOKL-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.91
Rot. Bonds5

About 4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine

4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine (PubChem CID 70706548) has the molecular formula C19H28F2N2O2 and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
PubChem CID70706548
Molecular FormulaC19H28F2N2O2
Molecular Weight354.44 g/mol
Exact Mass354.21
IUPAC Name4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCOc1ccc(CN2CCC(C(C)N3CCOCC3)CC2)c(F)c1F
InChIInChI=1S/C19H28F2N2O2/c1-14(23-9-11-25-12-10-23)15-5-7-22(8-6-15)13-16-3-4-17(24-2)19(21)18(16)20/h3-4,14-15H,5-13H2,1-2H3
InChIKeyLFELNSSZURZOKL-UHFFFAOYSA-N
XLogP2.91
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine (CID 70706548) is 4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine is COc1ccc(CN2CCC(C(C)N3CCOCC3)CC2)c(F)c1F.
What is the InChIKey of 4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is LFELNSSZURZOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O2/c1-14(23-9-11-25-12-10-23)15-5-7-22(8-6-15)13-16-3-4-17(24-2)19(21)18(16)20/h3-4,14-15H,5-13H2,1-2H3.
What are the key properties of 4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine?
4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 354.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 70706548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).