[4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol

C20H25NO3 — CID 171373496

IUPAC[4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol
SMILESOCC1CN(Cc2ccccc2)C(COCc2ccccc2)CO1
InChIInChI=1S/C20H25NO3/c22-13-20-12-21(11-17-7-3-1-4-8-17)19(16-24-20)15-23-14-18-9-5-2-6-10-18/h1-10,19-20,22H,11-16H2
InChIKeyCIKSZKAFTVSONJ-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.47
Rot. Bonds7

About [4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol

[4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol (PubChem CID 171373496) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is [4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol
PubChem CID171373496
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name[4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol
SMILESOCC1CN(Cc2ccccc2)C(COCc2ccccc2)CO1
InChIInChI=1S/C20H25NO3/c22-13-20-12-21(11-17-7-3-1-4-8-17)19(16-24-20)15-23-14-18-9-5-2-6-10-18/h1-10,19-20,22H,11-16H2
InChIKeyCIKSZKAFTVSONJ-UHFFFAOYSA-N
XLogP2.47
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
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(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
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(2S,3R)-1-benzyl-3-(phenylmethoxymethyl)azetidine-2-carboxylic acid
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4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
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Frequently Asked Questions

What is the IUPAC name of [4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol?
The IUPAC name of [4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol (CID 171373496) is [4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol is OCC1CN(Cc2ccccc2)C(COCc2ccccc2)CO1.
What is the InChIKey of [4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol?
The InChIKey is CIKSZKAFTVSONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c22-13-20-12-21(11-17-7-3-1-4-8-17)19(16-24-20)15-23-14-18-9-5-2-6-10-18/h1-10,19-20,22H,11-16H2.
What are the key properties of [4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol?
[4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol has a molecular weight of 327.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol is sourced from PubChem (CID 171373496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).