methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate

C12H23NO4 — CID 79884507

IUPACmethyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
SMILESCOCCOCCN1CCCC(C(=O)OC)C1
InChIInChI=1S/C12H23NO4/c1-15-8-9-17-7-6-13-5-3-4-11(10-13)12(14)16-2/h11H,3-10H2,1-2H3
InChIKeyVUPQFVDHKOPMLH-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.53
Rot. Bonds7

About methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate

methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate (PubChem CID 79884507) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
PubChem CID79884507
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
SMILESCOCCOCCN1CCCC(C(=O)OC)C1
InChIInChI=1S/C12H23NO4/c1-15-8-9-17-7-6-13-5-3-4-11(10-13)12(14)16-2/h11H,3-10H2,1-2H3
InChIKeyVUPQFVDHKOPMLH-UHFFFAOYSA-N
XLogP0.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
CID 79038653
1-[2-(2-methoxyethoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 75424732
methyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate
CID 78920654
methyl 1-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707
methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
methyl 1-(5-aminopentyl)piperidine-3-carboxylate
CID 115533740
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115537485
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate (CID 79884507) is methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate is COCCOCCN1CCCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate?
The InChIKey is VUPQFVDHKOPMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-15-8-9-17-7-6-13-5-3-4-11(10-13)12(14)16-2/h11H,3-10H2,1-2H3.
What are the key properties of methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate?
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 0.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 79884507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).