acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde

C14H22N2O2 — CID 143814025

IUPACacetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde
SMILESCC=O.CN1CCCCC1.O=Cc1ccncc1
InChIInChI=1S/C6H5NO.C6H13N.C2H4O/c8-5-6-1-3-7-4-2-6;1-7-5-3-2-4-6-7;1-2-3/h1-5H;2-6H2,1H3;2H,1H3
InChIKeyPMBOHWSYCVEUNA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.20
Rot. Bonds1

About acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde

acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde (PubChem CID 143814025) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde.

Molecular Properties

Compound Nameacetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde
PubChem CID143814025
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameacetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde
SMILESCC=O.CN1CCCCC1.O=Cc1ccncc1
InChIInChI=1S/C6H5NO.C6H13N.C2H4O/c8-5-6-1-3-7-4-2-6;1-7-5-3-2-4-6-7;1-2-3/h1-5H;2-6H2,1H3;2H,1H3
InChIKeyPMBOHWSYCVEUNA-UHFFFAOYSA-N
XLogP2.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propane;pyridine-4-carbaldehyde
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methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine
CID 157352684
(Z)-but-2-ene;4-[1-(dimethylamino)-2-(methylamino)ethyl]benzaldehyde;1-methylpyrrolidine
CID 145029221
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
pyridine;4-(2-pyridin-4-ylethenyl)benzaldehyde
CID 87992660
ethane;1-methylimidazole;1-methylpiperidine
CID 142002166
benzene;1-methylpiperidine
CID 143889080
CID 68772535
CID 68772535
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
ethane;1-methylazonane
CID 145157770

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde?
The IUPAC name of acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde (CID 143814025) is acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde.
What is the SMILES notation for acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde?
The canonical SMILES for acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde is CC=O.CN1CCCCC1.O=Cc1ccncc1.
What is the InChIKey of acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde?
The InChIKey is PMBOHWSYCVEUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO.C6H13N.C2H4O/c8-5-6-1-3-7-4-2-6;1-7-5-3-2-4-6-7;1-2-3/h1-5H;2-6H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde?
acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde has a molecular weight of 250.34 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-methylpiperidine;pyridine-4-carbaldehyde is sourced from PubChem (CID 143814025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).