2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate

C13H25NO4 — CID 103178608

IUPAC2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate
SMILESCOCCCOCCOC(=O)C1(C)CCNCC1
InChIInChI=1S/C13H25NO4/c1-13(4-6-14-7-5-13)12(15)18-11-10-17-9-3-8-16-2/h14H,3-11H2,1-2H3
InChIKeyGOSJVXSNNRPMNJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.97
Rot. Bonds8

About 2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate

2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate (PubChem CID 103178608) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate
PubChem CID103178608
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate
SMILESCOCCCOCCOC(=O)C1(C)CCNCC1
InChIInChI=1S/C13H25NO4/c1-13(4-6-14-7-5-13)12(15)18-11-10-17-9-3-8-16-2/h14H,3-11H2,1-2H3
InChIKeyGOSJVXSNNRPMNJ-UHFFFAOYSA-N
XLogP0.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-piperidinecarboxylate
CID 70770
Ethyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 19361804
Methyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 56773794
Methyl 4-ethylpiperidine-4-carboxylate hydrochloride
CID 56773797
Ethyl 4-(trifluoromethyl)piperidine-4-carboxylate
CID 66977112
Tert-butyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 122164376
4,4-Dimethyl piperidine-4,4-dicarboxylate hydrochloride
CID 139026421
Propan-2-yl piperidine-4-carboxylate
CID 545822
Ethyl 4-(2,2-difluoroethyl)piperidine-4-carboxylate hydrochloride
CID 132362779
Ethyl 4-(prop-2-yn-1-yl)piperidine-4-carboxylate
CID 137699059
Methyl 4-(2-fluoroethyl)piperidine-4-carboxylate hydrochloride
CID 146155852
Tert-butyl 4-ethylpiperidine-4-carboxylate hydrochloride
CID 177799440

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate (CID 103178608) is 2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate is COCCCOCCOC(=O)C1(C)CCNCC1.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate?
The InChIKey is GOSJVXSNNRPMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(4-6-14-7-5-13)12(15)18-11-10-17-9-3-8-16-2/h14H,3-11H2,1-2H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate?
2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate is sourced from PubChem (CID 103178608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).