2,6-dimethylpiperidine-1-carbaldehyde

C8H15NO — CID 4643970

IUPAC2,6-dimethylpiperidine-1-carbaldehyde
SMILESCC1CCCC(C)N1C=O
InChIInChI=1S/C8H15NO/c1-7-4-3-5-8(2)9(7)6-10/h6-8H,3-5H2,1-2H3
InChIKeyZZSRDYOYTXLWMU-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds1

About 2,6-dimethylpiperidine-1-carbaldehyde

2,6-dimethylpiperidine-1-carbaldehyde (PubChem CID 4643970) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,6-dimethylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name2,6-dimethylpiperidine-1-carbaldehyde
PubChem CID4643970
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,6-dimethylpiperidine-1-carbaldehyde
SMILESCC1CCCC(C)N1C=O
InChIInChI=1S/C8H15NO/c1-7-4-3-5-8(2)9(7)6-10/h6-8H,3-5H2,1-2H3
InChIKeyZZSRDYOYTXLWMU-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
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

(2S)-2,6-dimethylpiperazine-1-carbaldehyde
CID 143975472
3-(2,6-dimethylpiperidin-1-yl)prop-2-enoic acid
CID 79889608
ethane;2-methylpyrrolidine-1-carbaldehyde
CID 177315996
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine
CID 102580844
bromo-(2,6-dimethylpiperidin-1-yl)silane
CID 140711295
(2,6-dimethylpiperidin-1-yl)-methylsilylsilane
CID 153439454
2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde
CID 45115742
(E)-3-[(2R)-2-methylpyrrolidin-1-yl]prop-2-enal
CID 134850692
2,6-dimethyl-N-prop-2-enylpiperidin-1-amine
CID 83013567
(2,6-dimethylpiperidin-1-yl)-dimethylborane
CID 169243459
(2R,6R)-2,6-dimethyl-1-propan-2-ylpiperidine
CID 130875650
1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 83015341

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpiperidine-1-carbaldehyde?
The IUPAC name of 2,6-dimethylpiperidine-1-carbaldehyde (CID 4643970) is 2,6-dimethylpiperidine-1-carbaldehyde.
What is the SMILES notation for 2,6-dimethylpiperidine-1-carbaldehyde?
The canonical SMILES for 2,6-dimethylpiperidine-1-carbaldehyde is CC1CCCC(C)N1C=O.
What is the InChIKey of 2,6-dimethylpiperidine-1-carbaldehyde?
The InChIKey is ZZSRDYOYTXLWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-4-3-5-8(2)9(7)6-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethylpiperidine-1-carbaldehyde?
2,6-dimethylpiperidine-1-carbaldehyde has a molecular weight of 141.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpiperidine-1-carbaldehyde is sourced from PubChem (CID 4643970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).