1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde

C14H20N2O2 — CID 82896519

IUPAC1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde
SMILESCOc1cc(C)nc(CN2CCCCC2C=O)c1
InChIInChI=1S/C14H20N2O2/c1-11-7-14(18-2)8-12(15-11)9-16-6-4-3-5-13(16)10-17/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyNMXFIEZXUXLVEF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.95
Rot. Bonds4

About 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde

1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde (PubChem CID 82896519) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde
PubChem CID82896519
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde
SMILESCOc1cc(C)nc(CN2CCCCC2C=O)c1
InChIInChI=1S/C14H20N2O2/c1-11-7-14(18-2)8-12(15-11)9-16-6-4-3-5-13(16)10-17/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyNMXFIEZXUXLVEF-UHFFFAOYSA-N
XLogP1.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde (CID 82896519) is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde is COc1cc(C)nc(CN2CCCCC2C=O)c1.
What is the InChIKey of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde?
The InChIKey is NMXFIEZXUXLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-7-14(18-2)8-12(15-11)9-16-6-4-3-5-13(16)10-17/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde?
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde has a molecular weight of 248.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 82896519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).