butyl 2-methylpiperidine-3-carboxylate

C11H21NO2 — CID 22406326

IUPACbutyl 2-methylpiperidine-3-carboxylate
SMILESCCCCOC(=O)C1CCCNC1C
InChIInChI=1S/C11H21NO2/c1-3-4-8-14-11(13)10-6-5-7-12-9(10)2/h9-10,12H,3-8H2,1-2H3
InChIKeyLECCVWMABODZHK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds4

About butyl 2-methylpiperidine-3-carboxylate

butyl 2-methylpiperidine-3-carboxylate (PubChem CID 22406326) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is butyl 2-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namebutyl 2-methylpiperidine-3-carboxylate
PubChem CID22406326
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namebutyl 2-methylpiperidine-3-carboxylate
SMILESCCCCOC(=O)C1CCCNC1C
InChIInChI=1S/C11H21NO2/c1-3-4-8-14-11(13)10-6-5-7-12-9(10)2/h9-10,12H,3-8H2,1-2H3
InChIKeyLECCVWMABODZHK-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methylpiperidine-3-carboxylate?
The IUPAC name of butyl 2-methylpiperidine-3-carboxylate (CID 22406326) is butyl 2-methylpiperidine-3-carboxylate.
What is the SMILES notation for butyl 2-methylpiperidine-3-carboxylate?
The canonical SMILES for butyl 2-methylpiperidine-3-carboxylate is CCCCOC(=O)C1CCCNC1C.
What is the InChIKey of butyl 2-methylpiperidine-3-carboxylate?
The InChIKey is LECCVWMABODZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-8-14-11(13)10-6-5-7-12-9(10)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of butyl 2-methylpiperidine-3-carboxylate?
butyl 2-methylpiperidine-3-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylpiperidine-3-carboxylate is sourced from PubChem (CID 22406326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).