4-[3-(1H-imidazol-2-yl)propyl]morpholine

C10H17N3O — CID 18692708

IUPAC4-[3-(1H-imidazol-2-yl)propyl]morpholine
SMILESc1c[nH]c(CCCN2CCOCC2)n1
InChIInChI=1S/C10H17N3O/c1(2-10-11-3-4-12-10)5-13-6-8-14-9-7-13/h3-4H,1-2,5-9H2,(H,11,12)
InChIKeyLDTRRMHESMTIDV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.67
Rot. Bonds4

About 4-[3-(1H-imidazol-2-yl)propyl]morpholine

4-[3-(1H-imidazol-2-yl)propyl]morpholine (PubChem CID 18692708) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-2-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(1H-imidazol-2-yl)propyl]morpholine
PubChem CID18692708
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[3-(1H-imidazol-2-yl)propyl]morpholine
SMILESc1c[nH]c(CCCN2CCOCC2)n1
InChIInChI=1S/C10H17N3O/c1(2-10-11-3-4-12-10)5-13-6-8-14-9-7-13/h3-4H,1-2,5-9H2,(H,11,12)
InChIKeyLDTRRMHESMTIDV-UHFFFAOYSA-N
XLogP0.67
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-2-yl)propyl]morpholine?
The IUPAC name of 4-[3-(1H-imidazol-2-yl)propyl]morpholine (CID 18692708) is 4-[3-(1H-imidazol-2-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(1H-imidazol-2-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(1H-imidazol-2-yl)propyl]morpholine is c1c[nH]c(CCCN2CCOCC2)n1.
What is the InChIKey of 4-[3-(1H-imidazol-2-yl)propyl]morpholine?
The InChIKey is LDTRRMHESMTIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1(2-10-11-3-4-12-10)5-13-6-8-14-9-7-13/h3-4H,1-2,5-9H2,(H,11,12).
What are the key properties of 4-[3-(1H-imidazol-2-yl)propyl]morpholine?
4-[3-(1H-imidazol-2-yl)propyl]morpholine has a molecular weight of 195.27 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-2-yl)propyl]morpholine is sourced from PubChem (CID 18692708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).