methyl 4-prop-2-enylpiperidine-4-carboxylate

C10H17NO2 — CID 66972977

IUPACmethyl 4-prop-2-enylpiperidine-4-carboxylate
SMILESC=CCC1(C(=O)OC)CCNCC1
InChIInChI=1S/C10H17NO2/c1-3-4-10(9(12)13-2)5-7-11-8-6-10/h3,11H,1,4-8H2,2H3
InChIKeyRROULGJQMCBBFS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds3

About methyl 4-prop-2-enylpiperidine-4-carboxylate

methyl 4-prop-2-enylpiperidine-4-carboxylate (PubChem CID 66972977) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 4-prop-2-enylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-prop-2-enylpiperidine-4-carboxylate
PubChem CID66972977
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 4-prop-2-enylpiperidine-4-carboxylate
SMILESC=CCC1(C(=O)OC)CCNCC1
InChIInChI=1S/C10H17NO2/c1-3-4-10(9(12)13-2)5-7-11-8-6-10/h3,11H,1,4-8H2,2H3
InChIKeyRROULGJQMCBBFS-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 4-prop-2-enylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-prop-2-enylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-prop-2-enylpiperidine-4-carboxylate (CID 66972977) is methyl 4-prop-2-enylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-prop-2-enylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-prop-2-enylpiperidine-4-carboxylate is C=CCC1(C(=O)OC)CCNCC1.
What is the InChIKey of methyl 4-prop-2-enylpiperidine-4-carboxylate?
The InChIKey is RROULGJQMCBBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-10(9(12)13-2)5-7-11-8-6-10/h3,11H,1,4-8H2,2H3.
What are the key properties of methyl 4-prop-2-enylpiperidine-4-carboxylate?
methyl 4-prop-2-enylpiperidine-4-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-prop-2-enylpiperidine-4-carboxylate is sourced from PubChem (CID 66972977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).