1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one

C12H20F3NO — CID 170394783

IUPAC1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(C(C)C)(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO/c1-9(2)11(12(13,14)15)4-6-16(7-5-11)8-10(3)17/h9H,4-8H2,1-3H3
InChIKeyITGUAUIXKCIPQZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.88
Rot. Bonds3

About 1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one

1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one (PubChem CID 170394783) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one
PubChem CID170394783
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(C(C)C)(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO/c1-9(2)11(12(13,14)15)4-6-16(7-5-11)8-10(3)17/h9H,4-8H2,1-3H3
InChIKeyITGUAUIXKCIPQZ-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one?
The IUPAC name of 1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one (CID 170394783) is 1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one is CC(=O)CN1CCC(C(C)C)(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one?
The InChIKey is ITGUAUIXKCIPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-9(2)11(12(13,14)15)4-6-16(7-5-11)8-10(3)17/h9H,4-8H2,1-3H3.
What are the key properties of 1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one?
1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one has a molecular weight of 251.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one is sourced from PubChem (CID 170394783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).