1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one

C14H25F2NO — CID 129181430

IUPAC1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)C1CN(C(C)(C)C)CCC1(C)C
InChIInChI=1S/C14H25F2NO/c1-12(2,3)17-8-7-13(4,5)10(9-17)11(18)14(6,15)16/h10H,7-9H2,1-6H3
InChIKeyYSBNIAWTZTYXOA-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.36
Rot. Bonds2

About 1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one

1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one (PubChem CID 129181430) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one
PubChem CID129181430
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)C1CN(C(C)(C)C)CCC1(C)C
InChIInChI=1S/C14H25F2NO/c1-12(2,3)17-8-7-13(4,5)10(9-17)11(18)14(6,15)16/h10H,7-9H2,1-6H3
InChIKeyYSBNIAWTZTYXOA-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one?
The IUPAC name of 1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one (CID 129181430) is 1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one?
The canonical SMILES for 1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one is CC(F)(F)C(=O)C1CN(C(C)(C)C)CCC1(C)C.
What is the InChIKey of 1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one?
The InChIKey is YSBNIAWTZTYXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-12(2,3)17-8-7-13(4,5)10(9-17)11(18)14(6,15)16/h10H,7-9H2,1-6H3.
What are the key properties of 1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one?
1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one has a molecular weight of 261.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-4,4-dimethylpiperidin-3-yl)-2,2-difluoropropan-1-one is sourced from PubChem (CID 129181430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).