butyl 4-ethylpiperidine-1-carboxylate

C12H23NO2 — CID 54160074

IUPACbutyl 4-ethylpiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(CC)CC1
InChIInChI=1S/C12H23NO2/c1-3-5-10-15-12(14)13-8-6-11(4-2)7-9-13/h11H,3-10H2,1-2H3
InChIKeyUSXFURYNIRAZND-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.05
Rot. Bonds4

About butyl 4-ethylpiperidine-1-carboxylate

butyl 4-ethylpiperidine-1-carboxylate (PubChem CID 54160074) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is butyl 4-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-ethylpiperidine-1-carboxylate
PubChem CID54160074
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namebutyl 4-ethylpiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(CC)CC1
InChIInChI=1S/C12H23NO2/c1-3-5-10-15-12(14)13-8-6-11(4-2)7-9-13/h11H,3-10H2,1-2H3
InChIKeyUSXFURYNIRAZND-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 4-ethylpiperidine-1-carboxylate?
The IUPAC name of butyl 4-ethylpiperidine-1-carboxylate (CID 54160074) is butyl 4-ethylpiperidine-1-carboxylate.
What is the SMILES notation for butyl 4-ethylpiperidine-1-carboxylate?
The canonical SMILES for butyl 4-ethylpiperidine-1-carboxylate is CCCCOC(=O)N1CCC(CC)CC1.
What is the InChIKey of butyl 4-ethylpiperidine-1-carboxylate?
The InChIKey is USXFURYNIRAZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-10-15-12(14)13-8-6-11(4-2)7-9-13/h11H,3-10H2,1-2H3.
What are the key properties of butyl 4-ethylpiperidine-1-carboxylate?
butyl 4-ethylpiperidine-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 54160074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).