(2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine

C20H24N2O — CID 134706467

IUPAC(2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine
SMILESCc1ccc(CN2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)nc1
InChIInChI=1S/C20H24N2O/c1-15-7-10-18(21-11-15)12-22-13-19(16-5-3-2-4-6-16)23-20(14-22)17-8-9-17/h2-7,10-11,17,19-20H,8-9,12-14H2,1H3/t19-,20+/m0/s1
InChIKeyYSPXPJMWFZKPJN-VQTJNVASSA-N
MW308.43 g/mol
LogP3.74
Rot. Bonds4

About (2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine

(2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine (PubChem CID 134706467) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine
PubChem CID134706467
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine
SMILESCc1ccc(CN2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)nc1
InChIInChI=1S/C20H24N2O/c1-15-7-10-18(21-11-15)12-22-13-19(16-5-3-2-4-6-16)23-20(14-22)17-8-9-17/h2-7,10-11,17,19-20H,8-9,12-14H2,1H3/t19-,20+/m0/s1
InChIKeyYSPXPJMWFZKPJN-VQTJNVASSA-N
XLogP3.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine 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,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine?
The IUPAC name of (2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine (CID 134706467) is (2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine.
What is the SMILES notation for (2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine?
The canonical SMILES for (2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine is Cc1ccc(CN2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)nc1.
What is the InChIKey of (2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine?
The InChIKey is YSPXPJMWFZKPJN-VQTJNVASSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-7-10-18(21-11-15)12-22-13-19(16-5-3-2-4-6-16)23-20(14-22)17-8-9-17/h2-7,10-11,17,19-20H,8-9,12-14H2,1H3/t19-,20+/m0/s1.
What are the key properties of (2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine?
(2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine has a molecular weight of 308.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine is sourced from PubChem (CID 134706467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).