methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate

C11H21NO3 — CID 60691218

IUPACmethyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
SMILESCCOCCN1CCC(C(=O)OC)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-9-8-12-6-4-10(5-7-12)11(13)14-2/h10H,3-9H2,1-2H3
InChIKeyJMHJHQZEKBRNQO-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.91
Rot. Bonds5

About methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate

methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate (PubChem CID 60691218) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
PubChem CID60691218
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
SMILESCCOCCN1CCC(C(=O)OC)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-9-8-12-6-4-10(5-7-12)11(13)14-2/h10H,3-9H2,1-2H3
InChIKeyJMHJHQZEKBRNQO-UHFFFAOYSA-N
XLogP0.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(2-butoxyethyl)piperidine-4-carboxylate
CID 61067326
1-(2-ethoxyethyl)-N-methylpiperidine-4-carboxamide
CID 134055126
methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
CID 79038653
methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate
CID 166152765
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551
methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
CID 65462250
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
N-(3-ethoxypropyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60500354
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate (CID 60691218) is methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate is CCOCCN1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate?
The InChIKey is JMHJHQZEKBRNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-9-8-12-6-4-10(5-7-12)11(13)14-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate?
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 60691218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).