(2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine

C18H22N2O — CID 124945226

IUPAC(2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
SMILESc1ccc(CCN2CCO[C@@H](Cc3cccnc3)C2)cc1
InChIInChI=1S/C18H22N2O/c1-2-5-16(6-3-1)8-10-20-11-12-21-18(15-20)13-17-7-4-9-19-14-17/h1-7,9,14,18H,8,10-13,15H2/t18-/m0/s1
InChIKeyBPJRQDUCRBJTNZ-SFHVURJKSA-N
MW282.39 g/mol
LogP2.57
Rot. Bonds5

About (2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine

(2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine (PubChem CID 124945226) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
PubChem CID124945226
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
SMILESc1ccc(CCN2CCO[C@@H](Cc3cccnc3)C2)cc1
InChIInChI=1S/C18H22N2O/c1-2-5-16(6-3-1)8-10-20-11-12-21-18(15-20)13-17-7-4-9-19-14-17/h1-7,9,14,18H,8,10-13,15H2/t18-/m0/s1
InChIKeyBPJRQDUCRBJTNZ-SFHVURJKSA-N
XLogP2.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine 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 (2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine?
The IUPAC name of (2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine (CID 124945226) is (2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine is c1ccc(CCN2CCO[C@@H](Cc3cccnc3)C2)cc1.
What is the InChIKey of (2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine?
The InChIKey is BPJRQDUCRBJTNZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-5-16(6-3-1)8-10-20-11-12-21-18(15-20)13-17-7-4-9-19-14-17/h1-7,9,14,18H,8,10-13,15H2/t18-/m0/s1.
What are the key properties of (2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine?
(2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine has a molecular weight of 282.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine is sourced from PubChem (CID 124945226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).