3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde

C13H21N3O2 — CID 11608509

IUPAC3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde
SMILESCn1c(C=O)cnc1OCCCN1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-15-12(11-17)10-14-13(15)18-9-5-8-16-6-3-2-4-7-16/h10-11H,2-9H2,1H3
InChIKeyPFCSFZJBJBVDES-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.49
Rot. Bonds6

About 3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde

3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde (PubChem CID 11608509) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde
PubChem CID11608509
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde
SMILESCn1c(C=O)cnc1OCCCN1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-15-12(11-17)10-14-13(15)18-9-5-8-16-6-3-2-4-7-16/h10-11H,2-9H2,1H3
InChIKeyPFCSFZJBJBVDES-UHFFFAOYSA-N
XLogP1.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde?
The IUPAC name of 3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde (CID 11608509) is 3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde.
What is the SMILES notation for 3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde?
The canonical SMILES for 3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde is Cn1c(C=O)cnc1OCCCN1CCCCC1.
What is the InChIKey of 3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde?
The InChIKey is PFCSFZJBJBVDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-12(11-17)10-14-13(15)18-9-5-8-16-6-3-2-4-7-16/h10-11H,2-9H2,1H3.
What are the key properties of 3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde?
3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde has a molecular weight of 251.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde is sourced from PubChem (CID 11608509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).