4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine

C21H30N2O — CID 56873904

IUPAC4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine
SMILESc1cc(CN2C[C@@H]3C4CCC(CC4)[C@@H]3C2)cc(N2CCOCC2)c1
InChIInChI=1S/C21H30N2O/c1-2-16(12-19(3-1)23-8-10-24-11-9-23)13-22-14-20-17-4-5-18(7-6-17)21(20)15-22/h1-3,12,17-18,20-21H,4-11,13-15H2/t17?,18?,20-,21+
InChIKeyUACBYVFGNKZUDD-DJOMHXKUSA-N
MW326.48 g/mol
LogP3.39
Rot. Bonds3

About 4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine

4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine (PubChem CID 56873904) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine
PubChem CID56873904
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine
SMILESc1cc(CN2C[C@@H]3C4CCC(CC4)[C@@H]3C2)cc(N2CCOCC2)c1
InChIInChI=1S/C21H30N2O/c1-2-16(12-19(3-1)23-8-10-24-11-9-23)13-22-14-20-17-4-5-18(7-6-17)21(20)15-22/h1-3,12,17-18,20-21H,4-11,13-15H2/t17?,18?,20-,21+
InChIKeyUACBYVFGNKZUDD-DJOMHXKUSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine with MolForge

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Related Compounds

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CID 142888836
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4-[3-[[(1S,5S)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]phenyl]morpholine
CID 133124400
1-(3-morpholin-4-ylphenyl)propan-2-amine
CID 117314833
1'-[(3-morpholin-4-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56897611
N-methyl-N-[1-[2-[(3-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375463
4-[3-[(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]sulfonylmorpholine
CID 167008516
4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine
CID 59545940
[(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol
CID 97122545
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine
CID 142668711
2,5-dimethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrole-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine?
The IUPAC name of 4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine (CID 56873904) is 4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine.
What is the SMILES notation for 4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine?
The canonical SMILES for 4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine is c1cc(CN2C[C@@H]3C4CCC(CC4)[C@@H]3C2)cc(N2CCOCC2)c1.
What is the InChIKey of 4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine?
The InChIKey is UACBYVFGNKZUDD-DJOMHXKUSA-N. The full InChI is InChI=1S/C21H30N2O/c1-2-16(12-19(3-1)23-8-10-24-11-9-23)13-22-14-20-17-4-5-18(7-6-17)21(20)15-22/h1-3,12,17-18,20-21H,4-11,13-15H2/t17?,18?,20-,21+.
What are the key properties of 4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine?
4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine has a molecular weight of 326.48 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine is sourced from PubChem (CID 56873904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).