(1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone

C18H32F3N3O — CID 118531418

IUPAC(1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
SMILESCN(CC(F)(F)F)C1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H32F3N3O/c1-17(2,3)24-11-5-14(6-12-24)16(25)23-9-7-15(8-10-23)22(4)13-18(19,20)21/h14-15H,5-13H2,1-4H3
InChIKeyGMZLRBUCJIJMBO-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.98
Rot. Bonds3

About (1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone

(1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone (PubChem CID 118531418) has the molecular formula C18H32F3N3O and a molecular weight of 363.47 g/mol. Its IUPAC name is (1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
PubChem CID118531418
Molecular FormulaC18H32F3N3O
Molecular Weight363.47 g/mol
Exact Mass363.25
IUPAC Name(1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
SMILESCN(CC(F)(F)F)C1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H32F3N3O/c1-17(2,3)24-11-5-14(6-12-24)16(25)23-9-7-15(8-10-23)22(4)13-18(19,20)21/h14-15H,5-13H2,1-4H3
InChIKeyGMZLRBUCJIJMBO-UHFFFAOYSA-N
XLogP2.98
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone?
The IUPAC name of (1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone (CID 118531418) is (1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone is CN(CC(F)(F)F)C1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of (1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone?
The InChIKey is GMZLRBUCJIJMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3N3O/c1-17(2,3)24-11-5-14(6-12-24)16(25)23-9-7-15(8-10-23)22(4)13-18(19,20)21/h14-15H,5-13H2,1-4H3.
What are the key properties of (1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone?
(1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone has a molecular weight of 363.47 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 118531418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).