4-ethenylpiperidine-4-carbaldehyde;methoxyethane

C11H21NO2 — CID 170591163

IUPAC4-ethenylpiperidine-4-carbaldehyde;methoxyethane
SMILESC=CC1(C=O)CCNCC1.CCOC
InChIInChI=1S/C8H13NO.C3H8O/c1-2-8(7-10)3-5-9-6-4-8;1-3-4-2/h2,7,9H,1,3-6H2;3H2,1-2H3
InChIKeyROHCMGADOIITBI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.39
Rot. Bonds3

About 4-ethenylpiperidine-4-carbaldehyde;methoxyethane

4-ethenylpiperidine-4-carbaldehyde;methoxyethane (PubChem CID 170591163) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-ethenylpiperidine-4-carbaldehyde;methoxyethane.

Molecular Properties

Compound Name4-ethenylpiperidine-4-carbaldehyde;methoxyethane
PubChem CID170591163
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-ethenylpiperidine-4-carbaldehyde;methoxyethane
SMILESC=CC1(C=O)CCNCC1.CCOC
InChIInChI=1S/C8H13NO.C3H8O/c1-2-8(7-10)3-5-9-6-4-8;1-3-4-2/h2,7,9H,1,3-6H2;3H2,1-2H3
InChIKeyROHCMGADOIITBI-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperidin-4-yl)acetaldehyde
CID 59311929
ethyl formate;(4-methylpiperidin-4-yl)methanol
CID 160700182
3-(methoxymethyl)pyrrolidine-3-carbaldehyde
CID 167739739
4-ethoxy-4-ethylpiperidine
CID 97036963
5-ethyl-1,4-diazepane-5-carbaldehyde
CID 134171585
methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde
CID 153333487
N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine
CID 103339377
4-ethylsulfonyl-4-(methoxymethyl)piperidine
CID 99997180
ethane;1-(4-ethoxypiperidin-4-yl)-N-methylmethanamine
CID 143619913
butane;ethene;2-methylazetidine-2-carbaldehyde
CID 143339554
ethyl 4-(2-methoxyethyl)piperidine-4-carboxylate
CID 56753969
(4-ethenylpiperidin-4-yl)methanol
CID 146049241

Frequently Asked Questions

What is the IUPAC name of 4-ethenylpiperidine-4-carbaldehyde;methoxyethane?
The IUPAC name of 4-ethenylpiperidine-4-carbaldehyde;methoxyethane (CID 170591163) is 4-ethenylpiperidine-4-carbaldehyde;methoxyethane.
What is the SMILES notation for 4-ethenylpiperidine-4-carbaldehyde;methoxyethane?
The canonical SMILES for 4-ethenylpiperidine-4-carbaldehyde;methoxyethane is C=CC1(C=O)CCNCC1.CCOC.
What is the InChIKey of 4-ethenylpiperidine-4-carbaldehyde;methoxyethane?
The InChIKey is ROHCMGADOIITBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C3H8O/c1-2-8(7-10)3-5-9-6-4-8;1-3-4-2/h2,7,9H,1,3-6H2;3H2,1-2H3.
What are the key properties of 4-ethenylpiperidine-4-carbaldehyde;methoxyethane?
4-ethenylpiperidine-4-carbaldehyde;methoxyethane has a molecular weight of 199.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylpiperidine-4-carbaldehyde;methoxyethane is sourced from PubChem (CID 170591163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).