5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

C27H32N2O — CID 164923268

IUPAC5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC/C=C\C(=C/C)C1CCc2cc(O)ccc2C1c1ccc(N2CC3(CNC3)C2)cc1
InChIInChI=1S/C27H32N2O/c1-3-5-19(4-2)24-12-8-21-14-23(30)11-13-25(21)26(24)20-6-9-22(10-7-20)29-17-27(18-29)15-28-16-27/h3-7,9-11,13-14,24,26,28,30H,8,12,15-18H2,1-2H3/b5-3-,19-4+
InChIKeyOOSPVJGTJOKVGU-UFQSSNLUSA-N
MW400.57 g/mol
LogP5.02
Rot. Bonds4

About 5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 164923268) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is 5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID164923268
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC/C=C\C(=C/C)C1CCc2cc(O)ccc2C1c1ccc(N2CC3(CNC3)C2)cc1
InChIInChI=1S/C27H32N2O/c1-3-5-19(4-2)24-12-8-21-14-23(30)11-13-25(21)26(24)20-6-9-22(10-7-20)29-17-27(18-29)15-28-16-27/h3-7,9-11,13-14,24,26,28,30H,8,12,15-18H2,1-2H3/b5-3-,19-4+
InChIKeyOOSPVJGTJOKVGU-UFQSSNLUSA-N
XLogP5.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

1-[4-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbaldehyde
CID 142368214
(5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142090259
ethane;2-[[6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl thiohypoiodite
CID 177319518
(6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923324
(5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923491
[5-[4-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]boronic acid
CID 164922888
(5R,6R)-5-[4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)phenyl]-6-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 170729476
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[3.5]nonan-8-yl]acetic acid
CID 164924450
9-[4-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-6-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1-oxa-9-azaspiro[5.5]undecane
CID 170729428
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
(5R,6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 175878046

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 164923268) is 5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is C/C=C\C(=C/C)C1CCc2cc(O)ccc2C1c1ccc(N2CC3(CNC3)C2)cc1.
What is the InChIKey of 5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is OOSPVJGTJOKVGU-UFQSSNLUSA-N. The full InChI is InChI=1S/C27H32N2O/c1-3-5-19(4-2)24-12-8-21-14-23(30)11-13-25(21)26(24)20-6-9-22(10-7-20)29-17-27(18-29)15-28-16-27/h3-7,9-11,13-14,24,26,28,30H,8,12,15-18H2,1-2H3/b5-3-,19-4+.
What are the key properties of 5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 400.57 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 164923268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).