methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate

C14H25NO2 — CID 71425322

IUPACmethyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1CCCC(CCCC)N1C(=O)OC
InChIInChI=1S/C14H25NO2/c1-4-6-9-13-11-7-10-12(8-5-2)15(13)14(16)17-3/h5,12-13H,2,4,6-11H2,1,3H3
InChIKeyPJPGCUMECJKBJG-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.74
Rot. Bonds5

About methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate

methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate (PubChem CID 71425322) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate
PubChem CID71425322
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1CCCC(CCCC)N1C(=O)OC
InChIInChI=1S/C14H25NO2/c1-4-6-9-13-11-7-10-12(8-5-2)15(13)14(16)17-3/h5,12-13H,2,4,6-11H2,1,3H3
InChIKeyPJPGCUMECJKBJG-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate (CID 71425322) is methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate is C=CCC1CCCC(CCCC)N1C(=O)OC.
What is the InChIKey of methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is PJPGCUMECJKBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-6-9-13-11-7-10-12(8-5-2)15(13)14(16)17-3/h5,12-13H,2,4,6-11H2,1,3H3.
What are the key properties of methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate?
methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-6-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 71425322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).