4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine

C9H15N3O — CID 13320625

IUPAC4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine
SMILESCc1[nH]cnc1CN1CCOCC1
InChIInChI=1S/C9H15N3O/c1-8-9(11-7-10-8)6-12-2-4-13-5-3-12/h7H,2-6H2,1H3,(H,10,11)
InChIKeyPPWIQMPCJPFEFN-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.55
Rot. Bonds2

About 4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine

4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine (PubChem CID 13320625) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine
PubChem CID13320625
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine
SMILESCc1[nH]cnc1CN1CCOCC1
InChIInChI=1S/C9H15N3O/c1-8-9(11-7-10-8)6-12-2-4-13-5-3-12/h7H,2-6H2,1H3,(H,10,11)
InChIKeyPPWIQMPCJPFEFN-UHFFFAOYSA-N
XLogP0.55
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine?
The IUPAC name of 4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine (CID 13320625) is 4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine is Cc1[nH]cnc1CN1CCOCC1.
What is the InChIKey of 4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine?
The InChIKey is PPWIQMPCJPFEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8-9(11-7-10-8)6-12-2-4-13-5-3-12/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine?
4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine has a molecular weight of 181.24 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholine is sourced from PubChem (CID 13320625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).