2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde

C14H20N2O — CID 143664408

IUPAC2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde
SMILESCc1ccc(N2CCCC(CC=O)C2)nc1C
InChIInChI=1S/C14H20N2O/c1-11-5-6-14(15-12(11)2)16-8-3-4-13(10-16)7-9-17/h5-6,9,13H,3-4,7-8,10H2,1-2H3
InChIKeyVSUWHHMBHFCJON-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.50
Rot. Bonds3

About 2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde

2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde (PubChem CID 143664408) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde
PubChem CID143664408
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde
SMILESCc1ccc(N2CCCC(CC=O)C2)nc1C
InChIInChI=1S/C14H20N2O/c1-11-5-6-14(15-12(11)2)16-8-3-4-13(10-16)7-9-17/h5-6,9,13H,3-4,7-8,10H2,1-2H3
InChIKeyVSUWHHMBHFCJON-UHFFFAOYSA-N
XLogP2.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde
CID 123495598
2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 168665762
methyl 3-methyl-6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 167829544
N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane
CID 143229721
6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid
CID 112625893
1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane
CID 114047629
1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid
CID 120964839
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine
CID 63392190
methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 102986351
6-[3-(fluoromethyl)piperidin-1-yl]-3,4-dimethylpyridazine
CID 175648004
2-chloro-6-(3-ethylpiperidin-1-yl)pyridine
CID 63588602

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde?
The IUPAC name of 2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde (CID 143664408) is 2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde?
The canonical SMILES for 2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde is Cc1ccc(N2CCCC(CC=O)C2)nc1C.
What is the InChIKey of 2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde?
The InChIKey is VSUWHHMBHFCJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-5-6-14(15-12(11)2)16-8-3-4-13(10-16)7-9-17/h5-6,9,13H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde?
2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde has a molecular weight of 232.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6-dimethyl-2-pyridinyl)piperidin-3-yl]acetaldehyde is sourced from PubChem (CID 143664408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).