[(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol

C16H21N3O2 — CID 124846677

IUPAC[(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol
SMILESOC[C@H]1COCCN1Cc1cncn1Cc1ccccc1
InChIInChI=1S/C16H21N3O2/c20-11-16-12-21-7-6-18(16)10-15-8-17-13-19(15)9-14-4-2-1-3-5-14/h1-5,8,13,16,20H,6-7,9-12H2/t16-/m0/s1
InChIKeyJDIYSPHPMCCQPU-INIZCTEOSA-N
MW287.36 g/mol
LogP1.12
Rot. Bonds5

About [(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol

[(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol (PubChem CID 124846677) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol
PubChem CID124846677
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol
SMILESOC[C@H]1COCCN1Cc1cncn1Cc1ccccc1
InChIInChI=1S/C16H21N3O2/c20-11-16-12-21-7-6-18(16)10-15-8-17-13-19(15)9-14-4-2-1-3-5-14/h1-5,8,13,16,20H,6-7,9-12H2/t16-/m0/s1
InChIKeyJDIYSPHPMCCQPU-INIZCTEOSA-N
XLogP1.12
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylmorpholin-3-yl)ethanol
CID 53429129
1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
CID 154747305
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784
[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711284
2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 124852713
2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile
CID 27281589
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
4-benzyl-3-imidazol-1-ylmorpholine
CID 126648378
2-[(3S)-3-benzylmorpholin-4-yl]ethanol
CID 175622792
[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 66154354
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol?
The IUPAC name of [(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol (CID 124846677) is [(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol.
What is the SMILES notation for [(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol?
The canonical SMILES for [(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol is OC[C@H]1COCCN1Cc1cncn1Cc1ccccc1.
What is the InChIKey of [(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol?
The InChIKey is JDIYSPHPMCCQPU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-11-16-12-21-7-6-18(16)10-15-8-17-13-19(15)9-14-4-2-1-3-5-14/h1-5,8,13,16,20H,6-7,9-12H2/t16-/m0/s1.
What are the key properties of [(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol?
[(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol has a molecular weight of 287.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol is sourced from PubChem (CID 124846677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).