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

C17H34N2O3 — CID 103780309

IUPACtert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCOC(C)C(C)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O3/c1-12(14(3)21-7)18-13(2)15-9-8-10-19(11-15)16(20)22-17(4,5)6/h12-15,18H,8-11H2,1-7H3
InChIKeyHBHIGPXGENDZCE-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.04
Rot. Bonds5

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

tert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate (PubChem CID 103780309) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate
PubChem CID103780309
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCOC(C)C(C)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O3/c1-12(14(3)21-7)18-13(2)15-9-8-10-19(11-15)16(20)22-17(4,5)6/h12-15,18H,8-11H2,1-7H3
InChIKeyHBHIGPXGENDZCE-UHFFFAOYSA-N
XLogP3.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 3-(1-aminoethyl)piperidine-1-carboxylate
CID 47002429
Tert-butyl 4-amino-3-ethylpiperidine-1-carboxylate
CID 68291151
tert-Butyl 3-(1-(methylamino)ethyl)piperidine-1-carboxylate
CID 63587537
Ethyl 3-(1-aminoethyl)piperidine-1-carboxylate
CID 64028995
tert-butyl N-[(1S)-1-cyclohexyl-2-morpholin-4-ylethyl]carbamate
CID 10859933
Tert-butyl 2-[1-[3-(1-hydroxycyclobutyl)propylamino]ethyl]morpholine-4-carboxylate
CID 132322108
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
Tert-butyl 3-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate
CID 103947700
Tert-butyl 3-[1-[(3,3-difluoro-2-hydroxypropyl)amino]ethyl]piperidine-1-carboxylate
CID 103948692
Tert-butyl 3-[1-(6,6,6-trifluorohexan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 113586323

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate (CID 103780309) is tert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate is COC(C)C(C)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is HBHIGPXGENDZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-12(14(3)21-7)18-13(2)15-9-8-10-19(11-15)16(20)22-17(4,5)6/h12-15,18H,8-11H2,1-7H3.
What are the key properties of tert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 314.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(3-methoxybutan-2-ylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103780309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).