(3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine

C18H22N2O3 — CID 124729387

IUPAC(3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine
SMILESCOc1ccnc(CN2CCOC[C@@H]2c2ccccc2)c1OC
InChIInChI=1S/C18H22N2O3/c1-21-17-8-9-19-15(18(17)22-2)12-20-10-11-23-13-16(20)14-6-4-3-5-7-14/h3-9,16H,10-13H2,1-2H3/t16-/m1/s1
InChIKeyGBGPLSUVYSKSKK-MRXNPFEDSA-N
MW314.39 g/mol
LogP2.67
Rot. Bonds5

About (3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine

(3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine (PubChem CID 124729387) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine.

Molecular Properties

Compound Name(3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine
PubChem CID124729387
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine
SMILESCOc1ccnc(CN2CCOC[C@@H]2c2ccccc2)c1OC
InChIInChI=1S/C18H22N2O3/c1-21-17-8-9-19-15(18(17)22-2)12-20-10-11-23-13-16(20)14-6-4-3-5-7-14/h3-9,16H,10-13H2,1-2H3/t16-/m1/s1
InChIKeyGBGPLSUVYSKSKK-MRXNPFEDSA-N
XLogP2.67
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine?
The IUPAC name of (3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine (CID 124729387) is (3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine.
What is the SMILES notation for (3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine?
The canonical SMILES for (3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine is COc1ccnc(CN2CCOC[C@@H]2c2ccccc2)c1OC.
What is the InChIKey of (3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine?
The InChIKey is GBGPLSUVYSKSKK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-21-17-8-9-19-15(18(17)22-2)12-20-10-11-23-13-16(20)14-6-4-3-5-7-14/h3-9,16H,10-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine?
(3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine has a molecular weight of 314.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-phenylmorpholine is sourced from PubChem (CID 124729387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).