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

C18H25N3O — CID 95200278

IUPAC4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine
SMILESC[C@H](c1ccccc1)c1nccn1CCCN1CCOCC1
InChIInChI=1S/C18H25N3O/c1-16(17-6-3-2-4-7-17)18-19-8-11-21(18)10-5-9-20-12-14-22-15-13-20/h2-4,6-8,11,16H,5,9-10,12-15H2,1H3/t16-/m1/s1
InChIKeyCOQUHJNKCXDLGY-MRXNPFEDSA-N
MW299.42 g/mol
LogP2.76
Rot. Bonds6

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

4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine (PubChem CID 95200278) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine
PubChem CID95200278
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine
SMILESC[C@H](c1ccccc1)c1nccn1CCCN1CCOCC1
InChIInChI=1S/C18H25N3O/c1-16(17-6-3-2-4-7-17)18-19-8-11-21(18)10-5-9-20-12-14-22-15-13-20/h2-4,6-8,11,16H,5,9-10,12-15H2,1H3/t16-/m1/s1
InChIKeyCOQUHJNKCXDLGY-MRXNPFEDSA-N
XLogP2.76
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
CID 43769529
2-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]pyridine
CID 95192246
4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine
CID 82561888
2-phenyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 114029101
ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
CID 56760030
3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
CID 43204989
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561202
CID 21152560
CID 21152560
(1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine
CID 7318399
benzhydryl-methyl-(morpholin-4-ylmethyl)-phenylsilane
CID 71419638
(2R)-N-(2-morpholin-4-ylethyl)-2-phenylpropan-1-amine
CID 28617584

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine (CID 95200278) is 4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine is C[C@H](c1ccccc1)c1nccn1CCCN1CCOCC1.
What is the InChIKey of 4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine?
The InChIKey is COQUHJNKCXDLGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O/c1-16(17-6-3-2-4-7-17)18-19-8-11-21(18)10-5-9-20-12-14-22-15-13-20/h2-4,6-8,11,16H,5,9-10,12-15H2,1H3/t16-/m1/s1.
What are the key properties of 4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine?
4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine has a molecular weight of 299.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 95200278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).