5-ethyl-2-methylpiperidine-1-carbaldehyde

C9H17NO — CID 91410814

IUPAC5-ethyl-2-methylpiperidine-1-carbaldehyde
SMILESCCC1CCC(C)N(C=O)C1
InChIInChI=1S/C9H17NO/c1-3-9-5-4-8(2)10(6-9)7-11/h7-9H,3-6H2,1-2H3
InChIKeyRHXGKMIUZXSEFG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds2

About 5-ethyl-2-methylpiperidine-1-carbaldehyde

5-ethyl-2-methylpiperidine-1-carbaldehyde (PubChem CID 91410814) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-ethyl-2-methylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-2-methylpiperidine-1-carbaldehyde
PubChem CID91410814
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-ethyl-2-methylpiperidine-1-carbaldehyde
SMILESCCC1CCC(C)N(C=O)C1
InChIInChI=1S/C9H17NO/c1-3-9-5-4-8(2)10(6-9)7-11/h7-9H,3-6H2,1-2H3
InChIKeyRHXGKMIUZXSEFG-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethyl-1-piperidinecarboxaldehyde
CID 4643970
3,5-Dimethylpiperidine-1-carbaldehyde
CID 21702755
Platinum,N-dimethylformamide-O)(2,4-dimethylpyridine)-, (SP-4-3)-
CID 54604444
Ucrcmzitbqobax-uhfffaoysa-
CID 14762613
2-Ethyl-4-methylpiperidine-1-carbaldehyde
CID 135038940
3-Ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde
CID 143016299
4-Fluoro-4-propylpiperidine-1-carbaldehyde
CID 164604159
Methyl 2-butan-2-ylpiperidine-1-carboxylate
CID 14114665
1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]ethanone
CID 45086021
Piperidine, 1-acetyl-2-(1-methylethyl)-
CID 12791778
4-tert-Butylpiperidine-1-carbaldehyde
CID 13260925
4-Pentylpiperidine-1-carbaldehyde
CID 13418208

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylpiperidine-1-carbaldehyde?
The IUPAC name of 5-ethyl-2-methylpiperidine-1-carbaldehyde (CID 91410814) is 5-ethyl-2-methylpiperidine-1-carbaldehyde.
What is the SMILES notation for 5-ethyl-2-methylpiperidine-1-carbaldehyde?
The canonical SMILES for 5-ethyl-2-methylpiperidine-1-carbaldehyde is CCC1CCC(C)N(C=O)C1.
What is the InChIKey of 5-ethyl-2-methylpiperidine-1-carbaldehyde?
The InChIKey is RHXGKMIUZXSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9-5-4-8(2)10(6-9)7-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-ethyl-2-methylpiperidine-1-carbaldehyde?
5-ethyl-2-methylpiperidine-1-carbaldehyde has a molecular weight of 155.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylpiperidine-1-carbaldehyde is sourced from PubChem (CID 91410814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).