1,3,4-trimethylpiperidine-3-carbaldehyde

C9H17NO — CID 18684989

IUPAC1,3,4-trimethylpiperidine-3-carbaldehyde
SMILESCC1CCN(C)CC1(C)C=O
InChIInChI=1S/C9H17NO/c1-8-4-5-10(3)6-9(8,2)7-11/h7-8H,4-6H2,1-3H3
InChIKeyQSYTVTHOJDISFU-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.16
Rot. Bonds1

About 1,3,4-trimethylpiperidine-3-carbaldehyde

1,3,4-trimethylpiperidine-3-carbaldehyde (PubChem CID 18684989) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1,3,4-trimethylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name1,3,4-trimethylpiperidine-3-carbaldehyde
PubChem CID18684989
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1,3,4-trimethylpiperidine-3-carbaldehyde
SMILESCC1CCN(C)CC1(C)C=O
InChIInChI=1S/C9H17NO/c1-8-4-5-10(3)6-9(8,2)7-11/h7-8H,4-6H2,1-3H3
InChIKeyQSYTVTHOJDISFU-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethylpiperidine-3-carbaldehyde?
The IUPAC name of 1,3,4-trimethylpiperidine-3-carbaldehyde (CID 18684989) is 1,3,4-trimethylpiperidine-3-carbaldehyde.
What is the SMILES notation for 1,3,4-trimethylpiperidine-3-carbaldehyde?
The canonical SMILES for 1,3,4-trimethylpiperidine-3-carbaldehyde is CC1CCN(C)CC1(C)C=O.
What is the InChIKey of 1,3,4-trimethylpiperidine-3-carbaldehyde?
The InChIKey is QSYTVTHOJDISFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-4-5-10(3)6-9(8,2)7-11/h7-8H,4-6H2,1-3H3.
What are the key properties of 1,3,4-trimethylpiperidine-3-carbaldehyde?
1,3,4-trimethylpiperidine-3-carbaldehyde has a molecular weight of 155.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethylpiperidine-3-carbaldehyde is sourced from PubChem (CID 18684989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).