methyl 2-methyl-3-piperidin-4-ylprop-2-enoate

C10H17NO2 — CID 174840462

IUPACmethyl 2-methyl-3-piperidin-4-ylprop-2-enoate
SMILESCOC(=O)C(C)=CC1CCNCC1
InChIInChI=1S/C10H17NO2/c1-8(10(12)13-2)7-9-3-5-11-6-4-9/h7,9,11H,3-6H2,1-2H3
InChIKeyBMNZUXUNRULBCR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds2

About methyl 2-methyl-3-piperidin-4-ylprop-2-enoate

methyl 2-methyl-3-piperidin-4-ylprop-2-enoate (PubChem CID 174840462) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-methyl-3-piperidin-4-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-piperidin-4-ylprop-2-enoate
PubChem CID174840462
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-methyl-3-piperidin-4-ylprop-2-enoate
SMILESCOC(=O)C(C)=CC1CCNCC1
InChIInChI=1S/C10H17NO2/c1-8(10(12)13-2)7-9-3-5-11-6-4-9/h7,9,11H,3-6H2,1-2H3
InChIKeyBMNZUXUNRULBCR-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
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-methyl-3-piperidin-4-ylprop-2-enoate?
The IUPAC name of methyl 2-methyl-3-piperidin-4-ylprop-2-enoate (CID 174840462) is methyl 2-methyl-3-piperidin-4-ylprop-2-enoate.
What is the SMILES notation for methyl 2-methyl-3-piperidin-4-ylprop-2-enoate?
The canonical SMILES for methyl 2-methyl-3-piperidin-4-ylprop-2-enoate is COC(=O)C(C)=CC1CCNCC1.
What is the InChIKey of methyl 2-methyl-3-piperidin-4-ylprop-2-enoate?
The InChIKey is BMNZUXUNRULBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(10(12)13-2)7-9-3-5-11-6-4-9/h7,9,11H,3-6H2,1-2H3.
What are the key properties of methyl 2-methyl-3-piperidin-4-ylprop-2-enoate?
methyl 2-methyl-3-piperidin-4-ylprop-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-piperidin-4-ylprop-2-enoate is sourced from PubChem (CID 174840462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).