(2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine

C15H18FN3O — CID 124966375

IUPAC(2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine
SMILESFc1ccc(C[C@@H]2CN(Cc3ncc[nH]3)CCO2)cc1
InChIInChI=1S/C15H18FN3O/c16-13-3-1-12(2-4-13)9-14-10-19(7-8-20-14)11-15-17-5-6-18-15/h1-6,14H,7-11H2,(H,17,18)/t14-/m1/s1
InChIKeyILKMBAXKPOOVFI-CQSZACIVSA-N
MW275.33 g/mol
LogP1.99
Rot. Bonds4

About (2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine

(2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine (PubChem CID 124966375) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine
PubChem CID124966375
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name(2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine
SMILESFc1ccc(C[C@@H]2CN(Cc3ncc[nH]3)CCO2)cc1
InChIInChI=1S/C15H18FN3O/c16-13-3-1-12(2-4-13)9-14-10-19(7-8-20-14)11-15-17-5-6-18-15/h1-6,14H,7-11H2,(H,17,18)/t14-/m1/s1
InChIKeyILKMBAXKPOOVFI-CQSZACIVSA-N
XLogP1.99
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The IUPAC name of (2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine (CID 124966375) is (2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine is Fc1ccc(C[C@@H]2CN(Cc3ncc[nH]3)CCO2)cc1.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The InChIKey is ILKMBAXKPOOVFI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-3-1-12(2-4-13)9-14-10-19(7-8-20-14)11-15-17-5-6-18-15/h1-6,14H,7-11H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine?
(2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine has a molecular weight of 275.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine is sourced from PubChem (CID 124966375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).