4-(3,5-dimethylpiperidin-1-yl)benzaldehyde

C14H19NO — CID 43200250

IUPAC4-(3,5-dimethylpiperidin-1-yl)benzaldehyde
SMILESCC1CC(C)CN(c2ccc(C=O)cc2)C1
InChIInChI=1S/C14H19NO/c1-11-7-12(2)9-15(8-11)14-5-3-13(10-16)4-6-14/h3-6,10-12H,7-9H2,1-2H3
InChIKeyIRDUROZPLMTVNF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.98
Rot. Bonds2

About 4-(3,5-dimethylpiperidin-1-yl)benzaldehyde

4-(3,5-dimethylpiperidin-1-yl)benzaldehyde (PubChem CID 43200250) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)benzaldehyde
PubChem CID43200250
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)benzaldehyde
SMILESCC1CC(C)CN(c2ccc(C=O)cc2)C1
InChIInChI=1S/C14H19NO/c1-11-7-12(2)9-15(8-11)14-5-3-13(10-16)4-6-14/h3-6,10-12H,7-9H2,1-2H3
InChIKeyIRDUROZPLMTVNF-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.98
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 4-(3,5-dimethylpiperidin-1-yl)benzaldehyde?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)benzaldehyde (CID 43200250) is 4-(3,5-dimethylpiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)benzaldehyde?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)benzaldehyde is CC1CC(C)CN(c2ccc(C=O)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)benzaldehyde?
The InChIKey is IRDUROZPLMTVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-7-12(2)9-15(8-11)14-5-3-13(10-16)4-6-14/h3-6,10-12H,7-9H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)benzaldehyde?
4-(3,5-dimethylpiperidin-1-yl)benzaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 43200250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).