1,2,6-trimethylpiperidine-4-carbaldehyde

C9H17NO — CID 83905192

IUPAC1,2,6-trimethylpiperidine-4-carbaldehyde
SMILESCC1CC(C=O)CC(C)N1C
InChIInChI=1S/C9H17NO/c1-7-4-9(6-11)5-8(2)10(7)3/h6-9H,4-5H2,1-3H3
InChIKeyLVPPHYKEFVJFLZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.30
Rot. Bonds1

About 1,2,6-trimethylpiperidine-4-carbaldehyde

1,2,6-trimethylpiperidine-4-carbaldehyde (PubChem CID 83905192) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1,2,6-trimethylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1,2,6-trimethylpiperidine-4-carbaldehyde
PubChem CID83905192
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1,2,6-trimethylpiperidine-4-carbaldehyde
SMILESCC1CC(C=O)CC(C)N1C
InChIInChI=1S/C9H17NO/c1-7-4-9(6-11)5-8(2)10(7)3/h6-9H,4-5H2,1-3H3
InChIKeyLVPPHYKEFVJFLZ-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,6-trimethylpiperidine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,2,6-trimethylpiperidin-4-yl)propanal
CID 83906805
ethane;1,2,4,6-tetramethylpiperidine
CID 164865353
(1S,5R)-6-methylbicyclo[3.1.1]heptane-3-carbaldehyde
CID 88935864
4-formyl-2-methylpiperidine-1-carboxylic acid
CID 174419817
(1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde
CID 124571824
N,1,2,6-tetramethylpiperidin-4-amine
CID 59421618
3-(trifluoromethyl)cyclobutane-1-carbaldehyde
CID 131335536
(3S)-3-methylcyclopentane-1-carbaldehyde
CID 59953230
4-methoxy-1,2,6-trimethylpiperidine
CID 59421649
3,4-difluorocyclopentane-1-carbaldehyde
CID 140541377
1-methylpiperidine-4-carbaldehyde;hydrobromide
CID 175478635
1-propan-2-ylazetidine-3-carbaldehyde
CID 22896263

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethylpiperidine-4-carbaldehyde?
The IUPAC name of 1,2,6-trimethylpiperidine-4-carbaldehyde (CID 83905192) is 1,2,6-trimethylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1,2,6-trimethylpiperidine-4-carbaldehyde?
The canonical SMILES for 1,2,6-trimethylpiperidine-4-carbaldehyde is CC1CC(C=O)CC(C)N1C.
What is the InChIKey of 1,2,6-trimethylpiperidine-4-carbaldehyde?
The InChIKey is LVPPHYKEFVJFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-4-9(6-11)5-8(2)10(7)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 1,2,6-trimethylpiperidine-4-carbaldehyde?
1,2,6-trimethylpiperidine-4-carbaldehyde has a molecular weight of 155.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethylpiperidine-4-carbaldehyde is sourced from PubChem (CID 83905192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).