4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol

C20H32N2O3 — CID 100703545

IUPAC4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol
SMILESC[C@H]1COCCN1CCN(Cc1ccccc1)CC1(O)CCOCC1
InChIInChI=1S/C20H32N2O3/c1-18-16-25-14-11-22(18)10-9-21(15-19-5-3-2-4-6-19)17-20(23)7-12-24-13-8-20/h2-6,18,23H,7-17H2,1H3/t18-/m0/s1
InChIKeyIKZYFJRFTNXXIA-SFHVURJKSA-N
MW348.49 g/mol
LogP1.75
Rot. Bonds7

About 4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol

4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol (PubChem CID 100703545) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol
PubChem CID100703545
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol
SMILESC[C@H]1COCCN1CCN(Cc1ccccc1)CC1(O)CCOCC1
InChIInChI=1S/C20H32N2O3/c1-18-16-25-14-11-22(18)10-9-21(15-19-5-3-2-4-6-19)17-20(23)7-12-24-13-8-20/h2-6,18,23H,7-17H2,1H3/t18-/m0/s1
InChIKeyIKZYFJRFTNXXIA-SFHVURJKSA-N
XLogP1.75
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol (CID 100703545) is 4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol is C[C@H]1COCCN1CCN(Cc1ccccc1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol?
The InChIKey is IKZYFJRFTNXXIA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-18-16-25-14-11-22(18)10-9-21(15-19-5-3-2-4-6-19)17-20(23)7-12-24-13-8-20/h2-6,18,23H,7-17H2,1H3/t18-/m0/s1.
What are the key properties of 4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol?
4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol has a molecular weight of 348.49 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 100703545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).