methyl 2-methyl-4-piperidin-1-ylbutanoate

C11H21NO2 — CID 67188788

IUPACmethyl 2-methyl-4-piperidin-1-ylbutanoate
SMILESCOC(=O)C(C)CCN1CCCCC1
InChIInChI=1S/C11H21NO2/c1-10(11(13)14-2)6-9-12-7-4-3-5-8-12/h10H,3-9H2,1-2H3
InChIKeyHNNYBSAIBUHDTA-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds4

About methyl 2-methyl-4-piperidin-1-ylbutanoate

methyl 2-methyl-4-piperidin-1-ylbutanoate (PubChem CID 67188788) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 2-methyl-4-piperidin-1-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-piperidin-1-ylbutanoate
PubChem CID67188788
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 2-methyl-4-piperidin-1-ylbutanoate
SMILESCOC(=O)C(C)CCN1CCCCC1
InChIInChI=1S/C11H21NO2/c1-10(11(13)14-2)6-9-12-7-4-3-5-8-12/h10H,3-9H2,1-2H3
InChIKeyHNNYBSAIBUHDTA-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-piperidin-1-ylbutanoate?
The IUPAC name of methyl 2-methyl-4-piperidin-1-ylbutanoate (CID 67188788) is methyl 2-methyl-4-piperidin-1-ylbutanoate.
What is the SMILES notation for methyl 2-methyl-4-piperidin-1-ylbutanoate?
The canonical SMILES for methyl 2-methyl-4-piperidin-1-ylbutanoate is COC(=O)C(C)CCN1CCCCC1.
What is the InChIKey of methyl 2-methyl-4-piperidin-1-ylbutanoate?
The InChIKey is HNNYBSAIBUHDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(11(13)14-2)6-9-12-7-4-3-5-8-12/h10H,3-9H2,1-2H3.
What are the key properties of methyl 2-methyl-4-piperidin-1-ylbutanoate?
methyl 2-methyl-4-piperidin-1-ylbutanoate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-piperidin-1-ylbutanoate is sourced from PubChem (CID 67188788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).