(2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

C14H23F3N2O — CID 114908572

IUPAC(2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1CCCC(C)N1C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H23F3N2O/c1-9-4-3-5-10(2)19(9)13(20)12-7-6-11(8-18-12)14(15,16)17/h9-12,18H,3-8H2,1-2H3
InChIKeyJRNTWGIARZHVML-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.71
Rot. Bonds1

About (2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

(2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 114908572) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
PubChem CID114908572
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1CCCC(C)N1C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H23F3N2O/c1-9-4-3-5-10(2)19(9)13(20)12-7-6-11(8-18-12)14(15,16)17/h9-12,18H,3-8H2,1-2H3
InChIKeyJRNTWGIARZHVML-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 114908572) is (2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is CC1CCCC(C)N1C(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The InChIKey is JRNTWGIARZHVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-9-4-3-5-10(2)19(9)13(20)12-7-6-11(8-18-12)14(15,16)17/h9-12,18H,3-8H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
(2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 292.34 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 114908572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).