2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde

C14H17N3O — CID 117134530

IUPAC2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2cc(CC3CCCCN3)nc2c1
InChIInChI=1S/C14H17N3O/c18-10-11-4-6-17-9-13(16-14(17)7-11)8-12-3-1-2-5-15-12/h4,6-7,9-10,12,15H,1-3,5,8H2
InChIKeySMZJKHDSKUSQLE-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.83
Rot. Bonds3

About 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde

2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde (PubChem CID 117134530) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
PubChem CID117134530
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2cc(CC3CCCCN3)nc2c1
InChIInChI=1S/C14H17N3O/c18-10-11-4-6-17-9-13(16-14(17)7-11)8-12-3-1-2-5-15-12/h4,6-7,9-10,12,15H,1-3,5,8H2
InChIKeySMZJKHDSKUSQLE-UHFFFAOYSA-N
XLogP1.83
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117134516
7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine
CID 66650352
methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117130008
2-(thian-2-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134266
8-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine
CID 58525287
2-(1-ethylpiperidin-4-yl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133627
5-(piperidin-2-ylmethyl)-1H-pyrazole-3-carbaldehyde
CID 115092787
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907
2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine
CID 62333242
2-[(1-methylimidazol-4-yl)methyl]piperidine
CID 130509272
[2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117133738
2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117133831

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The IUPAC name of 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde (CID 117134530) is 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The canonical SMILES for 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde is O=Cc1ccn2cc(CC3CCCCN3)nc2c1.
What is the InChIKey of 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
The InChIKey is SMZJKHDSKUSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-10-11-4-6-17-9-13(16-14(17)7-11)8-12-3-1-2-5-15-12/h4,6-7,9-10,12,15H,1-3,5,8H2.
What are the key properties of 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde?
2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde has a molecular weight of 243.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117134530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).