tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate

C17H34N2O3 — CID 103782885

IUPACtert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCCOCC(C)NCCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O3/c1-6-21-13-14(2)18-10-9-15-8-7-11-19(12-15)16(20)22-17(3,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyNPHPVQQOATUBEH-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.04
Rot. Bonds7

About tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate

tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate (PubChem CID 103782885) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
PubChem CID103782885
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCCOCC(C)NCCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O3/c1-6-21-13-14(2)18-10-9-15-8-7-11-19(12-15)16(20)22-17(3,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyNPHPVQQOATUBEH-UHFFFAOYSA-N
XLogP3.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
Tert-butyl 4-(2-aminopropyl)-1-piperidinecarboxylate
CID 70645474
Tert-butyl 4-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 83669920
tert-Butyl 3-(1-(methylamino)ethyl)piperidine-1-carboxylate
CID 63587537
Tert-butyl 3-(morpholin-3-yl)piperidine-1-carboxylate
CID 82379221
Tert-butyl 3-(2-(piperidin-3-yloxy)ethyl)piperidine-1-carboxylate
CID 155937637
Tert-butyl 3-[(piperidin-4-yl)methyl]morpholine-4-carboxylate
CID 165828253
tert-butyl N-[(1S)-1-cyclohexyl-2-morpholin-4-ylethyl]carbamate
CID 10859933
tert-butyl 4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-4-propylpiperidine-1-carboxylate
CID 121570332
Tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate
CID 138050142
tert-butyl N-[(3S)-3-methyl-1-morpholin-4-ylpentan-2-yl]carbamate
CID 134964541
Tert-butyl 3-[1-[2-(2,2-difluoroethoxy)ethylamino]ethyl]piperidine-1-carboxylate
CID 102978057

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate (CID 103782885) is tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate is CCOCC(C)NCCC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is NPHPVQQOATUBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-6-21-13-14(2)18-10-9-15-8-7-11-19(12-15)16(20)22-17(3,4)5/h14-15,18H,6-13H2,1-5H3.
What are the key properties of tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 314.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(1-ethoxypropan-2-ylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103782885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).