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

C9H14F3NO — CID 146551401

IUPAC1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one
SMILESCCC(=O)C1(C(F)(F)F)CCNCC1
InChIInChI=1S/C9H14F3NO/c1-2-7(14)8(9(10,11)12)3-5-13-6-4-8/h13H,2-6H2,1H3
InChIKeyLZNQPIJITPCSMJ-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.90
Rot. Bonds2

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

1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one (PubChem CID 146551401) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one
PubChem CID146551401
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one
SMILESCCC(=O)C1(C(F)(F)F)CCNCC1
InChIInChI=1S/C9H14F3NO/c1-2-7(14)8(9(10,11)12)3-5-13-6-4-8/h13H,2-6H2,1H3
InChIKeyLZNQPIJITPCSMJ-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one (CID 146551401) is 1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one is CCC(=O)C1(C(F)(F)F)CCNCC1.
What is the InChIKey of 1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one?
The InChIKey is LZNQPIJITPCSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-2-7(14)8(9(10,11)12)3-5-13-6-4-8/h13H,2-6H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one?
1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one has a molecular weight of 209.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 146551401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).