4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine

C22H35N3O — CID 72841268

IUPAC4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine
SMILESCC(C)(CN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)N1CCOCC1
InChIInChI=1S/C22H35N3O/c1-22(2,25-10-12-26-13-11-25)18-24-16-20-8-9-21(24)17-23(15-20)14-19-6-4-3-5-7-19/h3-7,20-21H,8-18H2,1-2H3/t20-,21+/m0/s1
InChIKeyAMXIFSHVLDKSHW-LEWJYISDSA-N
MW357.54 g/mol
LogP2.69
Rot. Bonds5

About 4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine

4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine (PubChem CID 72841268) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine
PubChem CID72841268
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine
SMILESCC(C)(CN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)N1CCOCC1
InChIInChI=1S/C22H35N3O/c1-22(2,25-10-12-26-13-11-25)18-24-16-20-8-9-21(24)17-23(15-20)14-19-6-4-3-5-7-19/h3-7,20-21H,8-18H2,1-2H3/t20-,21+/m0/s1
InChIKeyAMXIFSHVLDKSHW-LEWJYISDSA-N
XLogP2.69
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine
CID 70785902
(1R,5S)-6-benzyl-3-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133127610
2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]benzoic acid
CID 72858336
(1S,5R)-6-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-benzyl-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride
CID 154900726
(1R,5S)-6-benzyl-3-[(5-methylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133138317
(1S,5R)-6-benzyl-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 70723250
(1S,5R)-3-benzyl-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72866424
1-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-morpholin-4-ylethanone
CID 72897982
(1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72923876
2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 72844762
(1S,5R)-3-benzyl-6-[(5-ethyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72892585
5-[[(1S,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-methyl-1,2-oxazole
CID 72844794

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine?
The IUPAC name of 4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine (CID 72841268) is 4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine.
What is the SMILES notation for 4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine?
The canonical SMILES for 4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine is CC(C)(CN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)N1CCOCC1.
What is the InChIKey of 4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine?
The InChIKey is AMXIFSHVLDKSHW-LEWJYISDSA-N. The full InChI is InChI=1S/C22H35N3O/c1-22(2,25-10-12-26-13-11-25)18-24-16-20-8-9-21(24)17-23(15-20)14-19-6-4-3-5-7-19/h3-7,20-21H,8-18H2,1-2H3/t20-,21+/m0/s1.
What are the key properties of 4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine?
4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine has a molecular weight of 357.54 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine is sourced from PubChem (CID 72841268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).