[4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane

C27H56F3N5O — CID 144962761

About [4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane

[4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane (PubChem CID 144962761) has the molecular formula C27H56F3N5O and a molecular weight of 523.77 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane.

Molecular Properties

• Compound Name: [4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane
• PubChem CID: 144962761
• Molecular Formula: C27H56F3N5O
• Molecular Weight: 523.77 g/mol
• Exact Mass: 523.44
• IUPAC Name: [4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane
• SMILES: CC.CC.CN1CCC(C(=O)N2CCC(N(C)C)CC2)CC1.CN1CCC(N(C)CC(F)(F)F)CC1
• InChI: InChI=1S/C14H27N3O.C9H17F3N2.2C2H6/c1-15(2)13-6-10-17(11-7-13)14(18)12-4-8-16(3)9-5-12;1-13-5-3-8(4-6-13)14(2)7-9(10,11)12;2*1-2/h12-13H,4-11H2,1-3H3;8H,3-7H2,1-2H3;2*1-2H3
• InChIKey: ZANDGDBLKHGRCP-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 33.27 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.77
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane?

The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane (CID 144962761) is [4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane.

What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane?

The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane is CC.CC.CN1CCC(C(=O)N2CCC(N(C)C)CC2)CC1.CN1CCC(N(C)CC(F)(F)F)CC1.

What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane?

The InChIKey is ZANDGDBLKHGRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.C9H17F3N2.2C2H6/c1-15(2)13-6-10-17(11-7-13)14(18)12-4-8-16(3)9-5-12;1-13-5-3-8(4-6-13)14(2)7-9(10,11)12;2*1-2/h12-13H,4-11H2,1-3H3;8H,3-7H2,1-2H3;2*1-2H3.

What are the key properties of [4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane?

[4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane has a molecular weight of 523.77 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane is sourced from PubChem (CID 144962761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).