1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one

C12H20F3NO — CID 58395384

IUPAC1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESCC(C)(C)C1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO/c1-11(2,3)9-4-6-16(7-5-9)10(17)8-12(13,14)15/h9H,4-8H2,1-3H3
InChIKeyPDOSKJUQSCFNGC-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.22
Rot. Bonds1

About 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one

1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one (PubChem CID 58395384) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
PubChem CID58395384
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESCC(C)(C)C1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO/c1-11(2,3)9-4-6-16(7-5-9)10(17)8-12(13,14)15/h9H,4-8H2,1-3H3
InChIKeyPDOSKJUQSCFNGC-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one (CID 58395384) is 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one is CC(C)(C)C1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
The InChIKey is PDOSKJUQSCFNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-11(2,3)9-4-6-16(7-5-9)10(17)8-12(13,14)15/h9H,4-8H2,1-3H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one?
1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one has a molecular weight of 251.29 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 58395384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).