1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one

C10H16F3NO — CID 123756165

IUPAC1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESCC1(C)CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c1-9(2)3-5-14(6-4-9)8(15)7-10(11,12)13/h3-7H2,1-2H3
InChIKeyDZELPIPIOMQSEJ-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.59
Rot. Bonds1

About 1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one

1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one (PubChem CID 123756165) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
PubChem CID123756165
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESCC1(C)CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c1-9(2)3-5-14(6-4-9)8(15)7-10(11,12)13/h3-7H2,1-2H3
InChIKeyDZELPIPIOMQSEJ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one (CID 123756165) is 1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one is CC1(C)CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The InChIKey is DZELPIPIOMQSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-9(2)3-5-14(6-4-9)8(15)7-10(11,12)13/h3-7H2,1-2H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one has a molecular weight of 223.24 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 123756165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).