butyl (2R,6R)-6-methylpiperidine-2-carboxylate

C11H21NO2 — CID 7047096

IUPACbutyl (2R,6R)-6-methylpiperidine-2-carboxylate
SMILESCCCCOC(=O)[C@H]1CCC[C@@H](C)N1
InChIInChI=1S/C11H21NO2/c1-3-4-8-14-11(13)10-7-5-6-9(2)12-10/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeySEYMEYGDCXZWRB-NXEZZACHSA-N
MW199.29 g/mol
LogP1.86
Rot. Bonds4

About butyl (2R,6R)-6-methylpiperidine-2-carboxylate

butyl (2R,6R)-6-methylpiperidine-2-carboxylate (PubChem CID 7047096) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is butyl (2R,6R)-6-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namebutyl (2R,6R)-6-methylpiperidine-2-carboxylate
PubChem CID7047096
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namebutyl (2R,6R)-6-methylpiperidine-2-carboxylate
SMILESCCCCOC(=O)[C@H]1CCC[C@@H](C)N1
InChIInChI=1S/C11H21NO2/c1-3-4-8-14-11(13)10-7-5-6-9(2)12-10/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeySEYMEYGDCXZWRB-NXEZZACHSA-N
XLogP1.86
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 ≤ 51.86
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 (2R,6R)-6-methylpiperidine-2-carboxylate?
The IUPAC name of butyl (2R,6R)-6-methylpiperidine-2-carboxylate (CID 7047096) is butyl (2R,6R)-6-methylpiperidine-2-carboxylate.
What is the SMILES notation for butyl (2R,6R)-6-methylpiperidine-2-carboxylate?
The canonical SMILES for butyl (2R,6R)-6-methylpiperidine-2-carboxylate is CCCCOC(=O)[C@H]1CCC[C@@H](C)N1.
What is the InChIKey of butyl (2R,6R)-6-methylpiperidine-2-carboxylate?
The InChIKey is SEYMEYGDCXZWRB-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-8-14-11(13)10-7-5-6-9(2)12-10/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of butyl (2R,6R)-6-methylpiperidine-2-carboxylate?
butyl (2R,6R)-6-methylpiperidine-2-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2R,6R)-6-methylpiperidine-2-carboxylate is sourced from PubChem (CID 7047096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).