[2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol

C17H22FN3O2 — CID 155992748

IUPAC[2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol
SMILESCn1cnc(CN2CCOC(CO)(Cc3cccc(F)c3)C2)c1
InChIInChI=1S/C17H22FN3O2/c1-20-9-16(19-13-20)10-21-5-6-23-17(11-21,12-22)8-14-3-2-4-15(18)7-14/h2-4,7,9,13,22H,5-6,8,10-12H2,1H3
InChIKeyBTWBXBIPDQJIAP-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.37
Rot. Bonds5

About [2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol

[2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol (PubChem CID 155992748) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol
PubChem CID155992748
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name[2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol
SMILESCn1cnc(CN2CCOC(CO)(Cc3cccc(F)c3)C2)c1
InChIInChI=1S/C17H22FN3O2/c1-20-9-16(19-13-20)10-21-5-6-23-17(11-21,12-22)8-14-3-2-4-15(18)7-14/h2-4,7,9,13,22H,5-6,8,10-12H2,1H3
InChIKeyBTWBXBIPDQJIAP-UHFFFAOYSA-N
XLogP1.37
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 132776956
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 132776943
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone
CID 132764631
[2-[(2-fluorophenyl)methyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholin-2-yl]methanol
CID 132764204
[4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 56754356
[(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol
CID 169228655
4-[(1-ethylpyrazol-4-yl)methyl]-6-[(3-fluorophenoxy)methyl]-1,4-oxazepan-6-ol
CID 132777419
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131681265
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
CID 46998417
2-[2-[(4-fluorophenoxy)methyl]-4-[(3-hydroxyphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132772645

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol (CID 155992748) is [2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol is Cn1cnc(CN2CCOC(CO)(Cc3cccc(F)c3)C2)c1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol?
The InChIKey is BTWBXBIPDQJIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-20-9-16(19-13-20)10-21-5-6-23-17(11-21,12-22)8-14-3-2-4-15(18)7-14/h2-4,7,9,13,22H,5-6,8,10-12H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol?
[2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol has a molecular weight of 319.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 155992748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).