tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate

C18H36N2O5 — CID 118190462

IUPACtert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate
SMILESCOCCOCCOCCN(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O5/c1-18(2,3)25-17(21)20-8-6-16(7-9-20)19(4)10-11-23-14-15-24-13-12-22-5/h16H,6-15H2,1-5H3
InChIKeyYPDKQIFNWOKMCF-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.00
Rot. Bonds10

About tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate

tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate (PubChem CID 118190462) has the molecular formula C18H36N2O5 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate
PubChem CID118190462
Molecular FormulaC18H36N2O5
Molecular Weight360.50 g/mol
Exact Mass360.26
IUPAC Nametert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate
SMILESCOCCOCCOCCN(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O5/c1-18(2,3)25-17(21)20-8-6-16(7-9-20)19(4)10-11-23-14-15-24-13-12-22-5/h16H,6-15H2,1-5H3
InChIKeyYPDKQIFNWOKMCF-UHFFFAOYSA-N
XLogP2.00
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 126511702
1-Boc-4-morpholinopiperidine
CID 14571198
tert-butyl N-methyl-N-[5-[methyl(morpholine-4-carbonyl)amino]pentyl]carbamate
CID 19754004
Tert-butyl 4-(5-methyl-2-oxooxazolidin-3-yl)piperidine-1-carboxylate
CID 45489914
Tert-butyl 4-[2-methoxyethyl(methyl)amino]piperidine-1-carboxylate
CID 57420343
4-[Cyclopropylmethyl-(2-methoxy-ethyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494003
4-[Isopropyl-(2-methoxy-ethyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494028
tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate
CID 57632455
4-[Methyl(tetrahydrofuran-3-yl)amino]piperidine-1-carboxylic acid tert-butyl ester
CID 59605566
tert-Butyl 4-(methyl(oxetan-3-yl)amino)piperidine-1-carboxylate
CID 59606201
Tert-butyl 4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 60016642
tert-butyl (3R,5S)-3-[[ethyl(methoxycarbonyl)amino]methyl]-5-methoxymorpholine-4-carboxylate
CID 67113983

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate (CID 118190462) is tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate is COCCOCCOCCN(C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate?
The InChIKey is YPDKQIFNWOKMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O5/c1-18(2,3)25-17(21)20-8-6-16(7-9-20)19(4)10-11-23-14-15-24-13-12-22-5/h16H,6-15H2,1-5H3.
What are the key properties of tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate?
tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate has a molecular weight of 360.50 g/mol, XLogP of 2.00, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 118190462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).