methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate

C11H19NO2 — CID 14659530

IUPACmethyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@H]1CCC[C@@H](C)N1C(=O)OC
InChIInChI=1S/C11H19NO2/c1-4-6-10-8-5-7-9(2)12(10)11(13)14-3/h4,9-10H,1,5-8H2,2-3H3/t9-,10+/m1/s1
InChIKeyQXMSFIFXJVRMPC-ZJUUUORDSA-N
MW197.28 g/mol
LogP2.57
Rot. Bonds2

About methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate

methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate (PubChem CID 14659530) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate
PubChem CID14659530
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@H]1CCC[C@@H](C)N1C(=O)OC
InChIInChI=1S/C11H19NO2/c1-4-6-10-8-5-7-9(2)12(10)11(13)14-3/h4,9-10H,1,5-8H2,2-3H3/t9-,10+/m1/s1
InChIKeyQXMSFIFXJVRMPC-ZJUUUORDSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-nonyl-2,3-dihydropyrrole-1-carboxylate
CID 10879623
Tert-butyl 2-(prop-2-en-1-yl)piperidine-1-carboxylate
CID 10656811
tert-butyl (2S)-2-prop-2-enylpiperidine-1-carboxylate
CID 11218388
Methyl 2-allylpiperidine-1-carboxylate
CID 11412765
Methyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate
CID 85420103
methyl N-but-3-enyl-N-dodecylcarbamate
CID 134924040
Tert-butyl 2-pent-4-enylpiperidine-1-carboxylate
CID 134963876
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
1-Acetyl-2-methyl-6-(prop-2-enyl)piperidine (N-Acetylpinidine)
CID 592457
methyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate
CID 10954470

Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate (CID 14659530) is methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate is C=CC[C@H]1CCC[C@@H](C)N1C(=O)OC.
What is the InChIKey of methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is QXMSFIFXJVRMPC-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-6-10-8-5-7-9(2)12(10)11(13)14-3/h4,9-10H,1,5-8H2,2-3H3/t9-,10+/m1/s1.
What are the key properties of methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate?
methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-2-methyl-6-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 14659530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).