piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

C12H19F3N2O — CID 54936761

IUPACpiperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCN1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-4-3-7-17(8-9)11(18)10-5-1-2-6-16-10/h9-10,16H,1-8H2
InChIKeyGFZYGWFRPFUEFF-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.93
Rot. Bonds1

About piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 54936761) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID54936761
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Namepiperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCN1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-4-3-7-17(8-9)11(18)10-5-1-2-6-16-10/h9-10,16H,1-8H2
InChIKeyGFZYGWFRPFUEFF-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 54936761) is piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(C1CCCCN1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is GFZYGWFRPFUEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)9-4-3-7-17(8-9)11(18)10-5-1-2-6-16-10/h9-10,16H,1-8H2.
What are the key properties of piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 264.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 54936761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).