tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate

C17H35N3O3 — CID 103080811

IUPACtert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate
SMILESCN(C)CCOCCNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O3/c1-17(2,3)23-16(21)20-9-6-15(7-10-20)14-18-8-12-22-13-11-19(4)5/h15,18H,6-14H2,1-5H3
InChIKeyJAXRANCYRSTKHB-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.80
Rot. Bonds8

About tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate (PubChem CID 103080811) has the molecular formula C17H35N3O3 and a molecular weight of 329.49 g/mol. Its IUPAC name is tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate
PubChem CID103080811
Molecular FormulaC17H35N3O3
Molecular Weight329.49 g/mol
Exact Mass329.27
IUPAC Nametert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate
SMILESCN(C)CCOCCNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O3/c1-17(2,3)23-16(21)20-9-6-15(7-10-20)14-18-8-12-22-13-11-19(4)5/h15,18H,6-14H2,1-5H3
InChIKeyJAXRANCYRSTKHB-UHFFFAOYSA-N
XLogP1.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
CID 23004743
tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
CID 21934652
tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate
CID 19691413
Tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate
CID 22708830
tert-butyl N-methyl-N-[2-(piperidin-4-yl)ethyl]carbamate
CID 23297746
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
tert-Butyl 4-[2-(methylamino)ethyl]piperidine-1-carboxylate
CID 46835695
Tert-butyl 4-((ethylamino)methyl)piperidine-1-carboxylate
CID 53249196
tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 53302318
tert-Butyl 4-(aminomethyl)-4-methoxypiperidine-1-carboxylate
CID 53399259
tert-Butyl 1-oxa-4,9-diazaspiro(5.5)undecane-4-carboxylate
CID 53439217
1,1-Dimethylethyl 4-(2-aminoethoxy)-1-piperidinecarboxylate
CID 53900805

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate (CID 103080811) is tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate is CN(C)CCOCCNCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate?
The InChIKey is JAXRANCYRSTKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O3/c1-17(2,3)23-16(21)20-9-6-15(7-10-20)14-18-8-12-22-13-11-19(4)5/h15,18H,6-14H2,1-5H3.
What are the key properties of tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate has a molecular weight of 329.49 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103080811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).