methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate

C10H17NO3 — CID 135086030

IUPACmethyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
SMILESCO/C=C/C1CCCCN1C(=O)OC
InChIInChI=1S/C10H17NO3/c1-13-8-6-9-5-3-4-7-11(9)10(12)14-2/h6,8-9H,3-5,7H2,1-2H3/b8-6+
InChIKeyMLWQRIQIQLUZED-SOFGYWHQSA-N
MW199.25 g/mol
LogP1.77
Rot. Bonds2

About methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate

methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate (PubChem CID 135086030) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
PubChem CID135086030
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
SMILESCO/C=C/C1CCCCN1C(=O)OC
InChIInChI=1S/C10H17NO3/c1-13-8-6-9-5-3-4-7-11(9)10(12)14-2/h6,8-9H,3-5,7H2,1-2H3/b8-6+
InChIKeyMLWQRIQIQLUZED-SOFGYWHQSA-N
XLogP1.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-Vinylpiperidine-1-carboxylate
CID 14898394
tert-Butyl (S)-2-vinylpiperidine-1-carboxylate
CID 11229595
Methyl 2-allylpiperidine-1-carboxylate
CID 11412765
[(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 11651522
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 (2R)-2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
CID 134966522
methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398569
Methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate
CID 102583300
(R)-tert-butyl 2-vinylpiperidine-1-carboxylate
CID 10976755
Tert-butyl 2-(2-methoxyethenyl)piperidine-1-carboxylate
CID 141051714
Prop-1-enyl piperidine-1-carboxylate
CID 154511837

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate (CID 135086030) is methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate is CO/C=C/C1CCCCN1C(=O)OC.
What is the InChIKey of methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate?
The InChIKey is MLWQRIQIQLUZED-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-8-6-9-5-3-4-7-11(9)10(12)14-2/h6,8-9H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate?
methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate is sourced from PubChem (CID 135086030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).