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

C11H17F3N2O — CID 166940621

IUPAC1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one
SMILESO=C1CCN(C2(C(F)(F)F)CCNCC2)CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)10(3-5-15-6-4-10)16-7-1-9(17)2-8-16/h15H,1-8H2
InChIKeyHSGQYPDLPKMKIM-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.34
Rot. Bonds1

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

1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one (PubChem CID 166940621) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one
PubChem CID166940621
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one
SMILESO=C1CCN(C2(C(F)(F)F)CCNCC2)CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)10(3-5-15-6-4-10)16-7-1-9(17)2-8-16/h15H,1-8H2
InChIKeyHSGQYPDLPKMKIM-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one?
The IUPAC name of 1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one (CID 166940621) is 1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one.
What is the SMILES notation for 1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one?
The canonical SMILES for 1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one is O=C1CCN(C2(C(F)(F)F)CCNCC2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one?
The InChIKey is HSGQYPDLPKMKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)10(3-5-15-6-4-10)16-7-1-9(17)2-8-16/h15H,1-8H2.
What are the key properties of 1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one?
1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one has a molecular weight of 250.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)piperidin-4-yl]piperidin-4-one is sourced from PubChem (CID 166940621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).