(3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

C18H25FN2O2 — CID 134690451

IUPAC(3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESFc1ccc(CN2C[C@H](N3CCOCC3)C3OCCCC32)cc1
InChIInChI=1S/C18H25FN2O2/c19-15-5-3-14(4-6-15)12-21-13-17(20-7-10-22-11-8-20)18-16(21)2-1-9-23-18/h3-6,16-18H,1-2,7-13H2/t16?,17-,18?/m0/s1
InChIKeyJATZKSZCKPKRBF-ADKAHSJRSA-N
MW320.41 g/mol
LogP1.89
Rot. Bonds3

About (3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

(3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (PubChem CID 134690451) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name(3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
PubChem CID134690451
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESFc1ccc(CN2C[C@H](N3CCOCC3)C3OCCCC32)cc1
InChIInChI=1S/C18H25FN2O2/c19-15-5-3-14(4-6-15)12-21-13-17(20-7-10-22-11-8-20)18-16(21)2-1-9-23-18/h3-6,16-18H,1-2,7-13H2/t16?,17-,18?/m0/s1
InChIKeyJATZKSZCKPKRBF-ADKAHSJRSA-N
XLogP1.89
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (CID 134690451) is (3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.
What is the SMILES notation for (3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The canonical SMILES for (3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is Fc1ccc(CN2C[C@H](N3CCOCC3)C3OCCCC32)cc1.
What is the InChIKey of (3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The InChIKey is JATZKSZCKPKRBF-ADKAHSJRSA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-15-5-3-14(4-6-15)12-21-13-17(20-7-10-22-11-8-20)18-16(21)2-1-9-23-18/h3-6,16-18H,1-2,7-13H2/t16?,17-,18?/m0/s1.
What are the key properties of (3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
(3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole has a molecular weight of 320.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-fluorophenyl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is sourced from PubChem (CID 134690451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).