tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate

C17H34N2O3 — CID 104985120

IUPACtert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate
SMILESCCOC(C)(C)CNCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O3/c1-7-21-17(5,6)13-18-11-14-9-8-10-19(12-14)15(20)22-16(2,3)4/h14,18H,7-13H2,1-6H3
InChIKeyNAQPURCRTFTWOI-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.04
Rot. Bonds6

About tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 104985120) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate
PubChem CID104985120
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate
SMILESCCOC(C)(C)CNCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O3/c1-7-21-17(5,6)13-18-11-14-9-8-10-19(12-14)15(20)22-16(2,3)4/h14,18H,7-13H2,1-6H3
InChIKeyNAQPURCRTFTWOI-UHFFFAOYSA-N
XLogP3.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Boc-3-(aminomethyl)piperidine
CID 2756483
tert-Butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate
CID 1502022
tert-butyl N-methyl-N-[(piperidin-3-yl)methyl]carbamate
CID 23004744
tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate
CID 1502023
tert-butyl N-methyl-N-[(morpholin-2-yl)methyl]carbamate
CID 19691535
tert-Butyl 3-((methylamino)methyl)piperidine-1-carboxylate
CID 24256606
(R)-tert-butyl 3-((methylamino)methyl)piperidine-1-carboxylate
CID 42052661
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
tert-Butyl 3-[(ethylamino)methyl]piperidine-1-carboxylate
CID 53249202
tert-Butyl 1-oxa-4,8-diazaspiro[5.5]undecane-8-carboxylate
CID 56962159
Tert-butyl 1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxylate
CID 71305869
Tert-butyl 3-(aminomethyl)-5-methylpiperidine-1-carboxylate
CID 83669917

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate (CID 104985120) is tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate is CCOC(C)(C)CNCC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is NAQPURCRTFTWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-7-21-17(5,6)13-18-11-14-9-8-10-19(12-14)15(20)22-16(2,3)4/h14,18H,7-13H2,1-6H3.
What are the key properties of tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 314.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(2-ethoxy-2-methylpropyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 104985120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).