1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one

C10H16F3NO — CID 51076746

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESCC1CC(C)CN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c1-7-3-8(2)6-14(5-7)9(15)4-10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyKNHIFHPPHBRRKU-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.44
Rot. Bonds1

About 1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one

1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one (PubChem CID 51076746) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
PubChem CID51076746
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESCC1CC(C)CN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c1-7-3-8(2)6-14(5-7)9(15)4-10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyKNHIFHPPHBRRKU-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one (CID 51076746) is 1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one is CC1CC(C)CN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The InChIKey is KNHIFHPPHBRRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-7-3-8(2)6-14(5-7)9(15)4-10(11,12)13/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one has a molecular weight of 223.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 51076746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).