tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane

C22H46N2O3 — CID 171070961

IUPACtert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane
SMILESCC.CNCC(C)CC(C)(C)CCOC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H40N2O3.C2H6/c1-16(15-21-7)14-20(5,6)10-13-24-17-8-11-22(12-9-17)18(23)25-19(2,3)4;1-2/h16-17,21H,8-15H2,1-7H3;1-2H3
InChIKeyLMOZCEZYLWHQGD-UHFFFAOYSA-N
MW386.62 g/mol
LogP5.09
Rot. Bonds8

About tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane

tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane (PubChem CID 171070961) has the molecular formula C22H46N2O3 and a molecular weight of 386.62 g/mol. Its IUPAC name is tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane
PubChem CID171070961
Molecular FormulaC22H46N2O3
Molecular Weight386.62 g/mol
Exact Mass386.35
IUPAC Nametert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane
SMILESCC.CNCC(C)CC(C)(C)CCOC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H40N2O3.C2H6/c1-16(15-21-7)14-20(5,6)10-13-24-17-8-11-22(12-9-17)18(23)25-19(2,3)4;1-2/h16-17,21H,8-15H2,1-7H3;1-2H3
InChIKeyLMOZCEZYLWHQGD-UHFFFAOYSA-N
XLogP5.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[2-(1,1-difluoropropan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 107252356
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952
tert-butyl 4-(7-bromoheptoxy)piperidine-1-carboxylate
CID 171081710
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid
CID 107252354
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid
CID 139578894
tert-butyl 4-[2-(trioxidanylsulfanyl)ethoxy]piperidine-1-carboxylate
CID 58676257
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl 4-[3-[(3-amino-3-methylbutyl)amino]propoxy]piperidine-1-carboxylate
CID 112753939
tert-butyl 4-but-2-ynoxypiperidine-1-carboxylate
CID 154957626
tert-butyl (3S)-3-(2-aminoethoxy)pyrrolidine-1-carboxylate
CID 96551969
tert-butyl 4-[3-(cyclobutylamino)propoxy]piperidine-1-carboxylate
CID 107252410

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane (CID 171070961) is tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane is CC.CNCC(C)CC(C)(C)CCOC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane?
The InChIKey is LMOZCEZYLWHQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O3.C2H6/c1-16(15-21-7)14-20(5,6)10-13-24-17-8-11-22(12-9-17)18(23)25-19(2,3)4;1-2/h16-17,21H,8-15H2,1-7H3;1-2H3.
What are the key properties of tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane?
tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane has a molecular weight of 386.62 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3,3,5-trimethyl-6-(methylamino)hexoxy]piperidine-1-carboxylate;ethane is sourced from PubChem (CID 171070961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).