methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate

C13H23NO3 — CID 10776494

IUPACmethyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate
SMILESCCC[C@H]1CCC[C@@H](/C=C/OC)N1C(=O)OC
InChIInChI=1S/C13H23NO3/c1-4-6-11-7-5-8-12(9-10-16-2)14(11)13(15)17-3/h9-12H,4-8H2,1-3H3/b10-9+/t11-,12-/m0/s1
InChIKeyYHJZBFKZMDSPDB-GSGCRYEPSA-N
MW241.33 g/mol
LogP2.94
Rot. Bonds4

About methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate

methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate (PubChem CID 10776494) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate
PubChem CID10776494
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate
SMILESCCC[C@H]1CCC[C@@H](/C=C/OC)N1C(=O)OC
InChIInChI=1S/C13H23NO3/c1-4-6-11-7-5-8-12(9-10-16-2)14(11)13(15)17-3/h9-12H,4-8H2,1-3H3/b10-9+/t11-,12-/m0/s1
InChIKeyYHJZBFKZMDSPDB-GSGCRYEPSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Methyl 2-allylpiperidine-1-carboxylate
CID 11412765
Methyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate
CID 85420103
tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
CID 131238189
Tert-butyl 2-pent-4-enylpiperidine-1-carboxylate
CID 134963876
tert-butyl (2R)-2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
CID 134966522
methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
CID 135086030
methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398569
Methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate
CID 102583300
tert-butyl (2R,6S)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate
CID 11064495
3-Undec-10-enyl-1,3-oxazinan-2-one
CID 18702576
tert-butyl (2S,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate
CID 57332589
Tert-butyl 2-(2-methoxyethenyl)piperidine-1-carboxylate
CID 141051714

Frequently Asked Questions

What is the IUPAC name of methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate?
The IUPAC name of methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate (CID 10776494) is methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate?
The canonical SMILES for methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate is CCC[C@H]1CCC[C@@H](/C=C/OC)N1C(=O)OC.
What is the InChIKey of methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate?
The InChIKey is YHJZBFKZMDSPDB-GSGCRYEPSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-6-11-7-5-8-12(9-10-16-2)14(11)13(15)17-3/h9-12H,4-8H2,1-3H3/b10-9+/t11-,12-/m0/s1.
What are the key properties of methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate?
methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate is sourced from PubChem (CID 10776494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).