benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol

C31H38N2O2 — CID 164923370

IUPACbenzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol
SMILESO=CCN1CCC2(CCN(c3ccccc3)C2)C1.Oc1ccc2c(c1)CCCC2.c1ccccc1
InChIInChI=1S/C15H20N2O.C10H12O.C6H6/c18-11-10-16-8-6-15(12-16)7-9-17(13-15)14-4-2-1-3-5-14;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-6-5-3-1/h1-5,11H,6-10,12-13H2;5-7,11H,1-4H2;1-6H
InChIKeyNFZVZOSBMLALGD-UHFFFAOYSA-N
MW470.66 g/mol
LogP5.75
Rot. Bonds3

About benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol

benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 164923370) has the molecular formula C31H38N2O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Namebenzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID164923370
Molecular FormulaC31H38N2O2
Molecular Weight470.66 g/mol
Exact Mass470.29
IUPAC Namebenzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol
SMILESO=CCN1CCC2(CCN(c3ccccc3)C2)C1.Oc1ccc2c(c1)CCCC2.c1ccccc1
InChIInChI=1S/C15H20N2O.C10H12O.C6H6/c18-11-10-16-8-6-15(12-16)7-9-17(13-15)14-4-2-1-3-5-14;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-6-5-3-1/h1-5,11H,6-10,12-13H2;5-7,11H,1-4H2;1-6H
InChIKeyNFZVZOSBMLALGD-UHFFFAOYSA-N
XLogP5.75
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde
CID 164923450
2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde
CID 164923692
2-[2-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,7-diazaspiro[3.4]octan-7-yl]acetic acid
CID 171719843
2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde
CID 130986180
cyclohexa-1,3-diene;6-formyl-N-methyl-N-[2-(methylamino)-6-oxohex-1-en-3-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide;9-methyl-3-phenyl-3,9-diazaspiro[5.5]undecane;5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923316
2-[4-[(5S)-7-(3-fluoropropyl)-2,7-diazaspiro[4.4]nonan-2-yl]phenyl]-6-hydroxy-3,4-dihydroisoquinolin-1-one
CID 68990366
2-[7-[4-[2-(2,2-difluoroethyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]-3,5-difluorophenyl]-2,7-diazaspiro[3.5]nonan-2-yl]acetaldehyde;ethane
CID 164924599
2-[2-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,8-diazaspiro[3.7]undecan-8-yl]acetic acid
CID 164923544
2-[7-[4-[2-(2,2-difluoropropyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3,5-difluorophenyl]-2,7-diazaspiro[4.5]decan-2-yl]acetaldehyde;methanol
CID 164924161
3-[(E)-4-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)but-2-enyl]-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 166186847
(5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164924406
7-phenyl-2λ4-thia-7-azaspiro[4.4]nonane 2-oxide
CID 141340862

Frequently Asked Questions

What is the IUPAC name of benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol (CID 164923370) is benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol is O=CCN1CCC2(CCN(c3ccccc3)C2)C1.Oc1ccc2c(c1)CCCC2.c1ccccc1.
What is the InChIKey of benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is NFZVZOSBMLALGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.C10H12O.C6H6/c18-11-10-16-8-6-15(12-16)7-9-17(13-15)14-4-2-1-3-5-14;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-6-5-3-1/h1-5,11H,6-10,12-13H2;5-7,11H,1-4H2;1-6H.
What are the key properties of benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol?
benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 470.66 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 164923370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).