methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate

C13H21NO2 — CID 11160406

IUPACmethyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate
SMILESC=CC[C@@H]1CCC[C@@H](CC=C)N1C(=O)OC
InChIInChI=1S/C13H21NO2/c1-4-7-11-9-6-10-12(8-5-2)14(11)13(15)16-3/h4-5,11-12H,1-2,6-10H2,3H3/t11-,12-/m1/s1
InChIKeyRPIIQAAVNAGYKK-VXGBXAGGSA-N
MW223.32 g/mol
LogP3.13
Rot. Bonds4

About methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate

methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate (PubChem CID 11160406) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate
PubChem CID11160406
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Namemethyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate
SMILESC=CC[C@@H]1CCC[C@@H](CC=C)N1C(=O)OC
InChIInChI=1S/C13H21NO2/c1-4-7-11-9-6-10-12(8-5-2)14(11)13(15)16-3/h4-5,11-12H,1-2,6-10H2,3H3/t11-,12-/m1/s1
InChIKeyRPIIQAAVNAGYKK-VXGBXAGGSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.13
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 (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate?
The IUPAC name of methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate (CID 11160406) is methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate?
The canonical SMILES for methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate is C=CC[C@@H]1CCC[C@@H](CC=C)N1C(=O)OC.
What is the InChIKey of methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate?
The InChIKey is RPIIQAAVNAGYKK-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-7-11-9-6-10-12(8-5-2)14(11)13(15)16-3/h4-5,11-12H,1-2,6-10H2,3H3/t11-,12-/m1/s1.
What are the key properties of methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate?
methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate has a molecular weight of 223.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6S)-2,6-bis(prop-2-enyl)piperidine-1-carboxylate is sourced from PubChem (CID 11160406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).