3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one

C14H26F2N2O2 — CID 103205316

IUPAC3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one
SMILESCCNC1CCN(C(=O)CCOCC(F)F)CC1CC
InChIInChI=1S/C14H26F2N2O2/c1-3-11-9-18(7-5-12(11)17-4-2)14(19)6-8-20-10-13(15)16/h11-13,17H,3-10H2,1-2H3
InChIKeyRUJSAWGNFAQGRV-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.89
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one

3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one (PubChem CID 103205316) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one
PubChem CID103205316
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Name3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one
SMILESCCNC1CCN(C(=O)CCOCC(F)F)CC1CC
InChIInChI=1S/C14H26F2N2O2/c1-3-11-9-18(7-5-12(11)17-4-2)14(19)6-8-20-10-13(15)16/h11-13,17H,3-10H2,1-2H3
InChIKeyRUJSAWGNFAQGRV-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one (CID 103205316) is 3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one is CCNC1CCN(C(=O)CCOCC(F)F)CC1CC.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is RUJSAWGNFAQGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-3-11-9-18(7-5-12(11)17-4-2)14(19)6-8-20-10-13(15)16/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one?
3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 292.37 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 103205316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).