2-propoxyethyl 4-ethylpiperidine-4-carboxylate

C13H25NO3 — CID 63686530

IUPAC2-propoxyethyl 4-ethylpiperidine-4-carboxylate
SMILESCCCOCCOC(=O)C1(CC)CCNCC1
InChIInChI=1S/C13H25NO3/c1-3-9-16-10-11-17-12(15)13(4-2)5-7-14-8-6-13/h14H,3-11H2,1-2H3
InChIKeyMONSOXMLULDNTQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.74
Rot. Bonds7

About 2-propoxyethyl 4-ethylpiperidine-4-carboxylate

2-propoxyethyl 4-ethylpiperidine-4-carboxylate (PubChem CID 63686530) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-propoxyethyl 4-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name2-propoxyethyl 4-ethylpiperidine-4-carboxylate
PubChem CID63686530
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-propoxyethyl 4-ethylpiperidine-4-carboxylate
SMILESCCCOCCOC(=O)C1(CC)CCNCC1
InChIInChI=1S/C13H25NO3/c1-3-9-16-10-11-17-12(15)13(4-2)5-7-14-8-6-13/h14H,3-11H2,1-2H3
InChIKeyMONSOXMLULDNTQ-UHFFFAOYSA-N
XLogP1.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
Ethyl 4-cyanopiperidine-4-carboxylate
CID 14294359
Methyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 56773794
Methyl 4-ethylpiperidine-4-carboxylate hydrochloride
CID 56773797
Ethyl 4-(trifluoromethyl)piperidine-4-carboxylate
CID 66977112
Propan-2-yl piperidine-4-carboxylate hydrochloride
CID 118918433
Methyl 3,3-dimethylpiperidine-4-carboxylate hydrochloride
CID 121305790
Tert-butyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 122164376
Methyl 4-(propan-2-yl)piperidine-4-carboxylate hydrochloride
CID 154878796
Propan-2-yl piperidine-4-carboxylate
CID 545822
Methyl 4-propyl-4-piperidinecarboxylate hydrochloride
CID 75531060

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 4-ethylpiperidine-4-carboxylate?
The IUPAC name of 2-propoxyethyl 4-ethylpiperidine-4-carboxylate (CID 63686530) is 2-propoxyethyl 4-ethylpiperidine-4-carboxylate.
What is the SMILES notation for 2-propoxyethyl 4-ethylpiperidine-4-carboxylate?
The canonical SMILES for 2-propoxyethyl 4-ethylpiperidine-4-carboxylate is CCCOCCOC(=O)C1(CC)CCNCC1.
What is the InChIKey of 2-propoxyethyl 4-ethylpiperidine-4-carboxylate?
The InChIKey is MONSOXMLULDNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-9-16-10-11-17-12(15)13(4-2)5-7-14-8-6-13/h14H,3-11H2,1-2H3.
What are the key properties of 2-propoxyethyl 4-ethylpiperidine-4-carboxylate?
2-propoxyethyl 4-ethylpiperidine-4-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 4-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 63686530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).