4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine

C22H25FN2O — CID 97381032

IUPAC4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine
SMILESFc1ccc(CN2C[C@H]3[C@@H](C2)c2ccccc2[C@@H]3N2CCOCC2)cc1
InChIInChI=1S/C22H25FN2O/c23-17-7-5-16(6-8-17)13-24-14-20-18-3-1-2-4-19(18)22(21(20)15-24)25-9-11-26-12-10-25/h1-8,20-22H,9-15H2/t20-,21-,22-/m0/s1
InChIKeyKXEIOMGFPBFSSC-FKBYEOEOSA-N
MW352.45 g/mol
LogP3.43
Rot. Bonds3

About 4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine

4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine (PubChem CID 97381032) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine.

Molecular Properties

Compound Name4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine
PubChem CID97381032
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine
SMILESFc1ccc(CN2C[C@H]3[C@@H](C2)c2ccccc2[C@@H]3N2CCOCC2)cc1
InChIInChI=1S/C22H25FN2O/c23-17-7-5-16(6-8-17)13-24-14-20-18-3-1-2-4-19(18)22(21(20)15-24)25-9-11-26-12-10-25/h1-8,20-22H,9-15H2/t20-,21-,22-/m0/s1
InChIKeyKXEIOMGFPBFSSC-FKBYEOEOSA-N
XLogP3.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine with MolForge

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Related Compounds

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2-{4-[3-(4-Fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethanol
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2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride
CID 10320518
2-{4-[5-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethanol
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3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride
CID 14208358
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CID 14208368
2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride
CID 52942993
3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrate;dihydrochloride
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4-(9H-fluoren-9-yl)morpholine
CID 224093
trans-4-[3-(4-Fluorophenyl)-6-fluoro-indan-1-yl]-1-piperazineethanol
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2-[4-[(1R,3S)-5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
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2-[4-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine?
The IUPAC name of 4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine (CID 97381032) is 4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine.
What is the SMILES notation for 4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine?
The canonical SMILES for 4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine is Fc1ccc(CN2C[C@H]3[C@@H](C2)c2ccccc2[C@@H]3N2CCOCC2)cc1.
What is the InChIKey of 4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine?
The InChIKey is KXEIOMGFPBFSSC-FKBYEOEOSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-17-7-5-16(6-8-17)13-24-14-20-18-3-1-2-4-19(18)22(21(20)15-24)25-9-11-26-12-10-25/h1-8,20-22H,9-15H2/t20-,21-,22-/m0/s1.
What are the key properties of 4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine?
4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine has a molecular weight of 352.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]morpholine is sourced from PubChem (CID 97381032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).