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

C12H22F2N2O2 — CID 103205272

IUPAC3-(2,2-difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one
SMILESCCNC1CCN(C(=O)CCOCC(F)F)CC1
InChIInChI=1S/C12H22F2N2O2/c1-2-15-10-3-6-16(7-4-10)12(17)5-8-18-9-11(13)14/h10-11,15H,2-9H2,1H3
InChIKeyMKKAMEZYWQWKHP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds7

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

3-(2,2-difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one (PubChem CID 103205272) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one
PubChem CID103205272
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name3-(2,2-difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one
SMILESCCNC1CCN(C(=O)CCOCC(F)F)CC1
InChIInChI=1S/C12H22F2N2O2/c1-2-15-10-3-6-16(7-4-10)12(17)5-8-18-9-11(13)14/h10-11,15H,2-9H2,1H3
InChIKeyMKKAMEZYWQWKHP-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
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-[4-(ethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one (CID 103205272) is 3-(2,2-difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one is CCNC1CCN(C(=O)CCOCC(F)F)CC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is MKKAMEZYWQWKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-2-15-10-3-6-16(7-4-10)12(17)5-8-18-9-11(13)14/h10-11,15H,2-9H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one?
3-(2,2-difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 264.32 g/mol, XLogP of 1.26, 7 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-[4-(ethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 103205272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).