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

C13H25NO3 — CID 61067326

IUPACmethyl 1-(2-butoxyethyl)piperidine-4-carboxylate
SMILESCCCCOCCN1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H25NO3/c1-3-4-10-17-11-9-14-7-5-12(6-8-14)13(15)16-2/h12H,3-11H2,1-2H3
InChIKeyAEVGPIHCKACSRA-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.69
Rot. Bonds7

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

methyl 1-(2-butoxyethyl)piperidine-4-carboxylate (PubChem CID 61067326) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 1-(2-butoxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-butoxyethyl)piperidine-4-carboxylate
PubChem CID61067326
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 1-(2-butoxyethyl)piperidine-4-carboxylate
SMILESCCCCOCCN1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H25NO3/c1-3-4-10-17-11-9-14-7-5-12(6-8-14)13(15)16-2/h12H,3-11H2,1-2H3
InChIKeyAEVGPIHCKACSRA-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.69
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-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate
CID 166152765
1-(2-butoxyethyl)piperidin-4-ol
CID 61067988
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551
methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104560353
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
methyl 1-[N'-(3-butoxypropyl)-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111253113
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-butoxyethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-butoxyethyl)piperidine-4-carboxylate (CID 61067326) is methyl 1-(2-butoxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-butoxyethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-butoxyethyl)piperidine-4-carboxylate is CCCCOCCN1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(2-butoxyethyl)piperidine-4-carboxylate?
The InChIKey is AEVGPIHCKACSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-4-10-17-11-9-14-7-5-12(6-8-14)13(15)16-2/h12H,3-11H2,1-2H3.
What are the key properties of methyl 1-(2-butoxyethyl)piperidine-4-carboxylate?
methyl 1-(2-butoxyethyl)piperidine-4-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-butoxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 61067326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).