tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate

C14H28N2O5 — CID 175547813

IUPACtert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate
SMILESCOCCOCOC1C[C@H](N)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O5/c1-14(2,3)21-13(17)16-8-11(15)7-12(9-16)20-10-19-6-5-18-4/h11-12H,5-10,15H2,1-4H3/t11-,12?/m0/s1
InChIKeyIMQDJTFQCRDDCH-PXYINDEMSA-N
MW304.39 g/mol
LogP0.96
Rot. Bonds6

About tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate

tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate (PubChem CID 175547813) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate
PubChem CID175547813
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Nametert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate
SMILESCOCCOCOC1C[C@H](N)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O5/c1-14(2,3)21-13(17)16-8-11(15)7-12(9-16)20-10-19-6-5-18-4/h11-12H,5-10,15H2,1-4H3/t11-,12?/m0/s1
InChIKeyIMQDJTFQCRDDCH-PXYINDEMSA-N
XLogP0.96
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3S,5R)-3-(methoxymethoxy)-5-(prop-2-enoxymethyl)piperidine-1-carboxylate
CID 177330558
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310
tert-butyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate
CID 118796258
tert-butyl (3S,5S)-3-amino-5-hydroxypiperidine-1-carboxylate
CID 124510092
tert-butyl 3-amino-5-hydroxypiperidine-1-carboxylate
CID 83680140
tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate
CID 155890892
tert-butyl 3-bromo-4-(2-methoxyethoxy)pyrrolidine-1-carboxylate
CID 114773115
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate
CID 155675762
tert-butyl (3R,5S)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxylate
CID 118006982
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxypiperidine-1-carboxylate
CID 155783145

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate (CID 175547813) is tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate is COCCOCOC1C[C@H](N)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate?
The InChIKey is IMQDJTFQCRDDCH-PXYINDEMSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-14(2,3)21-13(17)16-8-11(15)7-12(9-16)20-10-19-6-5-18-4/h11-12H,5-10,15H2,1-4H3/t11-,12?/m0/s1.
What are the key properties of tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate?
tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-amino-5-(2-methoxyethoxymethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 175547813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).