(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine

C17H23N3O — CID 124987098

IUPAC(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
SMILESCc1cnc([C@H]2CN(CCCc3ccccc3)CCO2)[nH]1
InChIInChI=1S/C17H23N3O/c1-14-12-18-17(19-14)16-13-20(10-11-21-16)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyODDLRVFFBOMXEN-MRXNPFEDSA-N
MW285.39 g/mol
LogP2.72
Rot. Bonds5

About (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine

(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine (PubChem CID 124987098) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine.

Molecular Properties

Compound Name(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
PubChem CID124987098
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
SMILESCc1cnc([C@H]2CN(CCCc3ccccc3)CCO2)[nH]1
InChIInChI=1S/C17H23N3O/c1-14-12-18-17(19-14)16-13-20(10-11-21-16)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyODDLRVFFBOMXEN-MRXNPFEDSA-N
XLogP2.72
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine?
The IUPAC name of (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine (CID 124987098) is (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine.
What is the SMILES notation for (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine?
The canonical SMILES for (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine is Cc1cnc([C@H]2CN(CCCc3ccccc3)CCO2)[nH]1.
What is the InChIKey of (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine?
The InChIKey is ODDLRVFFBOMXEN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-12-18-17(19-14)16-13-20(10-11-21-16)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine?
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine has a molecular weight of 285.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine is sourced from PubChem (CID 124987098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).