1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde

C14H19NO2 — CID 146528148

IUPAC1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde
SMILESCN1CC(C=O)CC(OCc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-15-8-13(10-16)7-14(9-15)17-11-12-5-3-2-4-6-12/h2-6,10,13-14H,7-9,11H2,1H3
InChIKeyXZHHQZHYBRHCED-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.72
Rot. Bonds4

About 1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde

1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde (PubChem CID 146528148) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde
PubChem CID146528148
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde
SMILESCN1CC(C=O)CC(OCc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-15-8-13(10-16)7-14(9-15)17-11-12-5-3-2-4-6-12/h2-6,10,13-14H,7-9,11H2,1H3
InChIKeyXZHHQZHYBRHCED-UHFFFAOYSA-N
XLogP1.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-5-phenylmethoxypiperidine-3-carbaldehyde?
The IUPAC name of 1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde (CID 146528148) is 1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde.
What is the SMILES notation for 1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde?
The canonical SMILES for 1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde is CN1CC(C=O)CC(OCc2ccccc2)C1.
What is the InChIKey of 1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde?
The InChIKey is XZHHQZHYBRHCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-8-13(10-16)7-14(9-15)17-11-12-5-3-2-4-6-12/h2-6,10,13-14H,7-9,11H2,1H3.
What are the key properties of 1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde?
1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde has a molecular weight of 233.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenylmethoxypiperidine-3-carbaldehyde is sourced from PubChem (CID 146528148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).