methyl 6,6-dimethylpiperidine-3-carboxylate

C9H17NO2 — CID 67033379

IUPACmethyl 6,6-dimethylpiperidine-3-carboxylate
SMILESCOC(=O)C1CCC(C)(C)NC1
InChIInChI=1S/C9H17NO2/c1-9(2)5-4-7(6-10-9)8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKeyZSZCHXGCKWYCSB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds1

About methyl 6,6-dimethylpiperidine-3-carboxylate

methyl 6,6-dimethylpiperidine-3-carboxylate (PubChem CID 67033379) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 6,6-dimethylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6,6-dimethylpiperidine-3-carboxylate
PubChem CID67033379
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 6,6-dimethylpiperidine-3-carboxylate
SMILESCOC(=O)C1CCC(C)(C)NC1
InChIInChI=1S/C9H17NO2/c1-9(2)5-4-7(6-10-9)8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKeyZSZCHXGCKWYCSB-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6,6-dimethylpiperidine-3-carboxylate?
The IUPAC name of methyl 6,6-dimethylpiperidine-3-carboxylate (CID 67033379) is methyl 6,6-dimethylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 6,6-dimethylpiperidine-3-carboxylate?
The canonical SMILES for methyl 6,6-dimethylpiperidine-3-carboxylate is COC(=O)C1CCC(C)(C)NC1.
What is the InChIKey of methyl 6,6-dimethylpiperidine-3-carboxylate?
The InChIKey is ZSZCHXGCKWYCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2)5-4-7(6-10-9)8(11)12-3/h7,10H,4-6H2,1-3H3.
What are the key properties of methyl 6,6-dimethylpiperidine-3-carboxylate?
methyl 6,6-dimethylpiperidine-3-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,6-dimethylpiperidine-3-carboxylate is sourced from PubChem (CID 67033379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).