(5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde

C15H21NO3 — CID 174783226

IUPAC(5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde
SMILESCC1OC[C@H](CCO)N(Cc2ccccc2)C1C=O
InChIInChI=1S/C15H21NO3/c1-12-15(10-18)16(14(7-8-17)11-19-12)9-13-5-3-2-4-6-13/h2-6,10,12,14-15,17H,7-9,11H2,1H3/t12?,14-,15?/m0/s1
InChIKeyQGDVXBNWZPSMRV-BLZCZZARSA-N
MW263.34 g/mol
LogP1.23
Rot. Bonds5

About (5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde

(5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde (PubChem CID 174783226) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde.

Molecular Properties

Compound Name(5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde
PubChem CID174783226
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde
SMILESCC1OC[C@H](CCO)N(Cc2ccccc2)C1C=O
InChIInChI=1S/C15H21NO3/c1-12-15(10-18)16(14(7-8-17)11-19-12)9-13-5-3-2-4-6-13/h2-6,10,12,14-15,17H,7-9,11H2,1H3/t12?,14-,15?/m0/s1
InChIKeyQGDVXBNWZPSMRV-BLZCZZARSA-N
XLogP1.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde?
The IUPAC name of (5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde (CID 174783226) is (5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde.
What is the SMILES notation for (5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde?
The canonical SMILES for (5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde is CC1OC[C@H](CCO)N(Cc2ccccc2)C1C=O.
What is the InChIKey of (5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde?
The InChIKey is QGDVXBNWZPSMRV-BLZCZZARSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-15(10-18)16(14(7-8-17)11-19-12)9-13-5-3-2-4-6-13/h2-6,10,12,14-15,17H,7-9,11H2,1H3/t12?,14-,15?/m0/s1.
What are the key properties of (5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde?
(5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde is sourced from PubChem (CID 174783226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).