(3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine

C22H28FN3O2 — CID 171540083

IUPAC(3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine
SMILESCOc1ccc(N2CCOCC2)cc1N[C@@H]1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C22H28FN3O2/c1-27-22-8-7-20(25-10-12-28-13-11-25)15-21(22)24-18-5-3-9-26(16-18)19-6-2-4-17(23)14-19/h2,4,6-8,14-15,18,24H,3,5,9-13,16H2,1H3/t18-/m1/s1
InChIKeyVIBGKBOYHREGMB-GOSISDBHSA-N
MW385.48 g/mol
LogP3.75
Rot. Bonds5

About (3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine

(3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine (PubChem CID 171540083) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is (3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine
PubChem CID171540083
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name(3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine
SMILESCOc1ccc(N2CCOCC2)cc1N[C@@H]1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C22H28FN3O2/c1-27-22-8-7-20(25-10-12-28-13-11-25)15-21(22)24-18-5-3-9-26(16-18)19-6-2-4-17(23)14-19/h2,4,6-8,14-15,18,24H,3,5,9-13,16H2,1H3/t18-/m1/s1
InChIKeyVIBGKBOYHREGMB-GOSISDBHSA-N
XLogP3.75
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine (CID 171540083) is (3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine is COc1ccc(N2CCOCC2)cc1N[C@@H]1CCCN(c2cccc(F)c2)C1.
What is the InChIKey of (3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine?
The InChIKey is VIBGKBOYHREGMB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-27-22-8-7-20(25-10-12-28-13-11-25)15-21(22)24-18-5-3-9-26(16-18)19-6-2-4-17(23)14-19/h2,4,6-8,14-15,18,24H,3,5,9-13,16H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine?
(3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine has a molecular weight of 385.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)piperidin-3-amine is sourced from PubChem (CID 171540083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).