4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine

C14H23N3O — CID 90488060

IUPAC4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine
SMILESCc1cnc(C2CCOCC2)n1C1CCNCC1
InChIInChI=1S/C14H23N3O/c1-11-10-16-14(12-4-8-18-9-5-12)17(11)13-2-6-15-7-3-13/h10,12-13,15H,2-9H2,1H3
InChIKeyANWSUPXKNUVCEY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.01
Rot. Bonds2

About 4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine

4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine (PubChem CID 90488060) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine
PubChem CID90488060
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine
SMILESCc1cnc(C2CCOCC2)n1C1CCNCC1
InChIInChI=1S/C14H23N3O/c1-11-10-16-14(12-4-8-18-9-5-12)17(11)13-2-6-15-7-3-13/h10,12-13,15H,2-9H2,1H3
InChIKeyANWSUPXKNUVCEY-UHFFFAOYSA-N
XLogP2.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine?
The IUPAC name of 4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine (CID 90488060) is 4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine.
What is the SMILES notation for 4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine?
The canonical SMILES for 4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine is Cc1cnc(C2CCOCC2)n1C1CCNCC1.
What is the InChIKey of 4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine?
The InChIKey is ANWSUPXKNUVCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-10-16-14(12-4-8-18-9-5-12)17(11)13-2-6-15-7-3-13/h10,12-13,15H,2-9H2,1H3.
What are the key properties of 4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine?
4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine has a molecular weight of 249.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine is sourced from PubChem (CID 90488060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).