(4-benzyl-3-methylmorpholin-3-yl)methanol

C13H19NO2 — CID 22342862

IUPAC(4-benzyl-3-methylmorpholin-3-yl)methanol
SMILESCC1(CO)COCCN1Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(10-15)11-16-8-7-14(13)9-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3
InChIKeyWBPZLUWUMMIRCP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds3

About (4-benzyl-3-methylmorpholin-3-yl)methanol

(4-benzyl-3-methylmorpholin-3-yl)methanol (PubChem CID 22342862) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (4-benzyl-3-methylmorpholin-3-yl)methanol.

Molecular Properties

Compound Name(4-benzyl-3-methylmorpholin-3-yl)methanol
PubChem CID22342862
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(4-benzyl-3-methylmorpholin-3-yl)methanol
SMILESCC1(CO)COCCN1Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(10-15)11-16-8-7-14(13)9-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3
InChIKeyWBPZLUWUMMIRCP-UHFFFAOYSA-N
XLogP1.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzyl-3-methylmorpholin-3-yl)methanol?
The IUPAC name of (4-benzyl-3-methylmorpholin-3-yl)methanol (CID 22342862) is (4-benzyl-3-methylmorpholin-3-yl)methanol.
What is the SMILES notation for (4-benzyl-3-methylmorpholin-3-yl)methanol?
The canonical SMILES for (4-benzyl-3-methylmorpholin-3-yl)methanol is CC1(CO)COCCN1Cc1ccccc1.
What is the InChIKey of (4-benzyl-3-methylmorpholin-3-yl)methanol?
The InChIKey is WBPZLUWUMMIRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(10-15)11-16-8-7-14(13)9-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3.
What are the key properties of (4-benzyl-3-methylmorpholin-3-yl)methanol?
(4-benzyl-3-methylmorpholin-3-yl)methanol has a molecular weight of 221.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-3-methylmorpholin-3-yl)methanol is sourced from PubChem (CID 22342862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).