3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine

C18H27N4OP — CID 2999435

IUPAC3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2ccccn2c1P(=O)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C18H27N4OP/c1-16-18(22-15-9-4-10-17(22)19-16)24(23,20-11-5-2-6-12-20)21-13-7-3-8-14-21/h4,9-10,15H,2-3,5-8,11-14H2,1H3
InChIKeyOLXOQASLIJOMER-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.43
Rot. Bonds3

About 3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine

3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine (PubChem CID 2999435) has the molecular formula C18H27N4OP and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine
PubChem CID2999435
Molecular FormulaC18H27N4OP
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2ccccn2c1P(=O)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C18H27N4OP/c1-16-18(22-15-9-4-10-17(22)19-16)24(23,20-11-5-2-6-12-20)21-13-7-3-8-14-21/h4,9-10,15H,2-3,5-8,11-14H2,1H3
InChIKeyOLXOQASLIJOMER-UHFFFAOYSA-N
XLogP3.43
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine (CID 2999435) is 3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine is Cc1nc2ccccn2c1P(=O)(N1CCCCC1)N1CCCCC1.
What is the InChIKey of 3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine?
The InChIKey is OLXOQASLIJOMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N4OP/c1-16-18(22-15-9-4-10-17(22)19-16)24(23,20-11-5-2-6-12-20)21-13-7-3-8-14-21/h4,9-10,15H,2-3,5-8,11-14H2,1H3.
What are the key properties of 3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine?
3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine has a molecular weight of 346.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 2999435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).