2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate

C14H27NO5 — CID 104563034

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate
SMILESCOCCOCCOCCOC(=O)C1(C)CCCNC1
InChIInChI=1S/C14H27NO5/c1-14(4-3-5-15-12-14)13(16)20-11-10-19-9-8-18-7-6-17-2/h15H,3-12H2,1-2H3
InChIKeyZHVGVZIGJRQATM-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.60
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate (PubChem CID 104563034) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate
PubChem CID104563034
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate
SMILESCOCCOCCOCCOC(=O)C1(C)CCCNC1
InChIInChI=1S/C14H27NO5/c1-14(4-3-5-15-12-14)13(16)20-11-10-19-9-8-18-7-6-17-2/h15H,3-12H2,1-2H3
InChIKeyZHVGVZIGJRQATM-UHFFFAOYSA-N
XLogP0.60
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate
CID 103178608
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
cyclopropylmethyl 3-methylpiperidine-3-carboxylate
CID 63134595
N,N-bis(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 63130592
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate
CID 104562939
propyl 3-methylpyrrolidine-3-carboxylate
CID 63145112
4-methoxy-2-methyl-1-(3-methylpiperidin-3-yl)butan-1-one
CID 116569421
N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047
butyl 3-methylpyrrolidine-3-carboxylate
CID 63145158
N-ethyl-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 63135216

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate (CID 104563034) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate is COCCOCCOCCOC(=O)C1(C)CCCNC1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate?
The InChIKey is ZHVGVZIGJRQATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-14(4-3-5-15-12-14)13(16)20-11-10-19-9-8-18-7-6-17-2/h15H,3-12H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate has a molecular weight of 289.37 g/mol, XLogP of 0.60, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate is sourced from PubChem (CID 104563034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).