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

C11H19NO2 — CID 117272447

IUPACmethyl 2-methylidene-4-piperidin-1-ylbutanoate
SMILESC=C(CCN1CCCCC1)C(=O)OC
InChIInChI=1S/C11H19NO2/c1-10(11(13)14-2)6-9-12-7-4-3-5-8-12/h1,3-9H2,2H3
InChIKeyYATFGBFDTJYTDY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds4

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

methyl 2-methylidene-4-piperidin-1-ylbutanoate (PubChem CID 117272447) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 2-methylidene-4-piperidin-1-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-methylidene-4-piperidin-1-ylbutanoate
PubChem CID117272447
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 2-methylidene-4-piperidin-1-ylbutanoate
SMILESC=C(CCN1CCCCC1)C(=O)OC
InChIInChI=1S/C11H19NO2/c1-10(11(13)14-2)6-9-12-7-4-3-5-8-12/h1,3-9H2,2H3
InChIKeyYATFGBFDTJYTDY-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidene-4-piperidin-1-ylbutanoate?
The IUPAC name of methyl 2-methylidene-4-piperidin-1-ylbutanoate (CID 117272447) is methyl 2-methylidene-4-piperidin-1-ylbutanoate.
What is the SMILES notation for methyl 2-methylidene-4-piperidin-1-ylbutanoate?
The canonical SMILES for methyl 2-methylidene-4-piperidin-1-ylbutanoate is C=C(CCN1CCCCC1)C(=O)OC.
What is the InChIKey of methyl 2-methylidene-4-piperidin-1-ylbutanoate?
The InChIKey is YATFGBFDTJYTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(11(13)14-2)6-9-12-7-4-3-5-8-12/h1,3-9H2,2H3.
What are the key properties of methyl 2-methylidene-4-piperidin-1-ylbutanoate?
methyl 2-methylidene-4-piperidin-1-ylbutanoate has a molecular weight of 197.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-4-piperidin-1-ylbutanoate is sourced from PubChem (CID 117272447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).