1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine

C16H30N2O — CID 158965677

IUPAC1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1CCCN(C)C1.CN1CCCC(C=O)C1
InChIInChI=1S/C9H17N.C7H13NO/c1-3-5-9-6-4-7-10(2)8-9;1-8-4-2-3-7(5-8)6-9/h3,5,9H,4,6-8H2,1-2H3;6-7H,2-5H2,1H3/b5-3+;
InChIKeyJNEAVUKMQDLWAV-WGCWOXMQSA-N
MW266.43 g/mol
LogP2.43
Rot. Bonds2

About 1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine

1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine (PubChem CID 158965677) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine.

Molecular Properties

Compound Name1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine
PubChem CID158965677
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1CCCN(C)C1.CN1CCCC(C=O)C1
InChIInChI=1S/C9H17N.C7H13NO/c1-3-5-9-6-4-7-10(2)8-9;1-8-4-2-3-7(5-8)6-9/h3,5,9H,4,6-8H2,1-2H3;6-7H,2-5H2,1H3/b5-3+;
InChIKeyJNEAVUKMQDLWAV-WGCWOXMQSA-N
XLogP2.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine?
The IUPAC name of 1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine (CID 158965677) is 1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine.
What is the SMILES notation for 1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine?
The canonical SMILES for 1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine is C/C=C/C1CCCN(C)C1.CN1CCCC(C=O)C1.
What is the InChIKey of 1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine?
The InChIKey is JNEAVUKMQDLWAV-WGCWOXMQSA-N. The full InChI is InChI=1S/C9H17N.C7H13NO/c1-3-5-9-6-4-7-10(2)8-9;1-8-4-2-3-7(5-8)6-9/h3,5,9H,4,6-8H2,1-2H3;6-7H,2-5H2,1H3/b5-3+;.
What are the key properties of 1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine?
1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine has a molecular weight of 266.43 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-3-carbaldehyde;1-methyl-3-[(E)-prop-1-enyl]piperidine is sourced from PubChem (CID 158965677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).