tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine

C24H37F3N4O4 — CID 171556642

IUPACtert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(C)OC(=O)N1CCC(N2CCC3OC(C)(C)OC3C2)CC1.Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C18H32N2O4.C6H5F3N2/c1-17(2,3)24-16(21)19-9-6-13(7-10-19)20-11-8-14-15(12-20)23-18(4,5)22-14;7-6(8,9)4-2-1-3-5(10)11-4/h13-15H,6-12H2,1-5H3;1-3H,(H2,10,11)
InChIKeyHZYHAYXCVMBWTA-UHFFFAOYSA-N
MW502.58 g/mol
LogP4.29
Rot. Bonds1

About tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine

tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine (PubChem CID 171556642) has the molecular formula C24H37F3N4O4 and a molecular weight of 502.58 g/mol. Its IUPAC name is tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Nametert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine
PubChem CID171556642
Molecular FormulaC24H37F3N4O4
Molecular Weight502.58 g/mol
Exact Mass502.28
IUPAC Nametert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(C)OC(=O)N1CCC(N2CCC3OC(C)(C)OC3C2)CC1.Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C18H32N2O4.C6H5F3N2/c1-17(2,3)24-16(21)19-9-6-13(7-10-19)20-11-8-14-15(12-20)23-18(4,5)22-14;7-6(8,9)4-2-1-3-5(10)11-4/h13-15H,6-12H2,1-5H3;1-3H,(H2,10,11)
InChIKeyHZYHAYXCVMBWTA-UHFFFAOYSA-N
XLogP4.29
TPSA90.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholine-4-carboxylate
CID 90966020
tert-butyl 4-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]piperidine-1-carboxylate
CID 171557306
tert-butyl 4-[(3aS,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate
CID 171557467
Tert-butyl 4-(3,4-dihydroxypiperidin-1-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine
CID 171557811
(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine
CID 171558041
tert-butyl N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 171558146
tert-butyl N-[[(3aS,4R,7S,7aR)-7-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 171558840

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine (CID 171556642) is tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine is CC(C)(C)OC(=O)N1CCC(N2CCC3OC(C)(C)OC3C2)CC1.Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HZYHAYXCVMBWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4.C6H5F3N2/c1-17(2,3)24-16(21)19-9-6-13(7-10-19)20-11-8-14-15(12-20)23-18(4,5)22-14;7-6(8,9)4-2-1-3-5(10)11-4/h13-15H,6-12H2,1-5H3;1-3H,(H2,10,11).
What are the key properties of tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine?
tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 502.58 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)piperidine-1-carboxylate;6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 171556642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).