1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone

C11H20F2N2O2 — CID 102868999

IUPAC1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NC(C)C(F)F)CC1
InChIInChI=1S/C11H20F2N2O2/c1-8(11(12)13)14-9-3-5-15(6-4-9)10(16)7-17-2/h8-9,11,14H,3-7H2,1-2H3
InChIKeyCVQSVCOSVYRISZ-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.87
Rot. Bonds5

About 1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone

1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone (PubChem CID 102868999) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
PubChem CID102868999
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NC(C)C(F)F)CC1
InChIInChI=1S/C11H20F2N2O2/c1-8(11(12)13)14-9-3-5-15(6-4-9)10(16)7-17-2/h8-9,11,14H,3-7H2,1-2H3
InChIKeyCVQSVCOSVYRISZ-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone (CID 102868999) is 1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(NC(C)C(F)F)CC1.
What is the InChIKey of 1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is CVQSVCOSVYRISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-8(11(12)13)14-9-3-5-15(6-4-9)10(16)7-17-2/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of 1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone?
1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 250.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 102868999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).