4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine

C14H27F2N3O — CID 75437493

IUPAC4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine
SMILESCCC1CN(CCN2CCOCC2)CCN1CC(F)F
InChIInChI=1S/C14H27F2N3O/c1-2-13-11-18(5-6-19(13)12-14(15)16)4-3-17-7-9-20-10-8-17/h13-14H,2-12H2,1H3
InChIKeyRDZBKOOMGKYOJF-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.98
Rot. Bonds6

About 4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine

4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine (PubChem CID 75437493) has the molecular formula C14H27F2N3O and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine
PubChem CID75437493
Molecular FormulaC14H27F2N3O
Molecular Weight291.39 g/mol
Exact Mass291.21
IUPAC Name4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine
SMILESCCC1CN(CCN2CCOCC2)CCN1CC(F)F
InChIInChI=1S/C14H27F2N3O/c1-2-13-11-18(5-6-19(13)12-14(15)16)4-3-17-7-9-20-10-8-17/h13-14H,2-12H2,1H3
InChIKeyRDZBKOOMGKYOJF-UHFFFAOYSA-N
XLogP0.98
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine (CID 75437493) is 4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine is CCC1CN(CCN2CCOCC2)CCN1CC(F)F.
What is the InChIKey of 4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine?
The InChIKey is RDZBKOOMGKYOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2N3O/c1-2-13-11-18(5-6-19(13)12-14(15)16)4-3-17-7-9-20-10-8-17/h13-14H,2-12H2,1H3.
What are the key properties of 4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine?
4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine has a molecular weight of 291.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 75437493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).