(3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol

C20H23NO2 — CID 11809038

IUPAC(3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol
SMILESC[C@]1(O)CN(Cc2ccccc2)[C@H](c2ccccc2)C[C@]12CO2
InChIInChI=1S/C20H23NO2/c1-19(22)14-21(13-16-8-4-2-5-9-16)18(12-20(19)15-23-20)17-10-6-3-7-11-17/h2-11,18,22H,12-15H2,1H3/t18-,19-,20-/m0/s1
InChIKeyWGUCDBYASCLTKJ-UFYCRDLUSA-N
MW309.41 g/mol
LogP3.15
Rot. Bonds3

About (3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol

(3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol (PubChem CID 11809038) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol.

Molecular Properties

Compound Name(3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol
PubChem CID11809038
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol
SMILESC[C@]1(O)CN(Cc2ccccc2)[C@H](c2ccccc2)C[C@]12CO2
InChIInChI=1S/C20H23NO2/c1-19(22)14-21(13-16-8-4-2-5-9-16)18(12-20(19)15-23-20)17-10-6-3-7-11-17/h2-11,18,22H,12-15H2,1H3/t18-,19-,20-/m0/s1
InChIKeyWGUCDBYASCLTKJ-UFYCRDLUSA-N
XLogP3.15
TPSA36.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(2-Ethoxy-1-phenylethyl)-4-phenylpiperidin-4-ol
CID 44426817
1-Benzhydryl-4-hexylpiperidin-4-ol
CID 44430026
1-(2-Methoxy-1-phenylethyl)-4-phenylpiperidin-4-ol
CID 44426816
3,4-Piperidinediol, 1,3-dimethyl-6-phenyl-, (3-alpha,4-beta,6-beta)-
CID 3043687
3,4-Piperidinediol, 1,3-dimethyl-6-(2-fluorophenyl)-, hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051062
3,4-Piperidinediol, 3-methyl-6-phenyl-1-(phenylmethyl)-, diacetate (ester), hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051066
3,4-Piperidinediol, 3-methyl-6-phenyl-1-(phenylmethyl)-, diacetate (ester), hydrochloride(3-alpha,4-alpha,6-alpha)-
CID 3051068
3,4-Piperidinediol, 3-methyl-6-phenyl-1-(phenylmethyl)-, diacetate (ester), hydrochloride, (3-alpha,4-beta,6-alpha)-
CID 3051072
3,4-Piperidinediol, 3-methyl-6-phenyl-1-(phenylmethyl)-, hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051074
3,4-Piperidinediol, 1,3-dimethyl-6-phenyl-, hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051108
3,4-Piperidinediol, 1,3-dimethyl-6-(4-methylphenyl)-, hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3064297
3,4-Piperidinediol, 6-phenyl-1,3,4-trimethyl-, (3-alpha,4-alpha,6-alpha)-
CID 3069442

Frequently Asked Questions

What is the IUPAC name of (3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol?
The IUPAC name of (3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol (CID 11809038) is (3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol.
What is the SMILES notation for (3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol?
The canonical SMILES for (3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol is C[C@]1(O)CN(Cc2ccccc2)[C@H](c2ccccc2)C[C@]12CO2.
What is the InChIKey of (3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol?
The InChIKey is WGUCDBYASCLTKJ-UFYCRDLUSA-N. The full InChI is InChI=1S/C20H23NO2/c1-19(22)14-21(13-16-8-4-2-5-9-16)18(12-20(19)15-23-20)17-10-6-3-7-11-17/h2-11,18,22H,12-15H2,1H3/t18-,19-,20-/m0/s1.
What are the key properties of (3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol?
(3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol has a molecular weight of 309.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,7S)-6-benzyl-4-methyl-7-phenyl-1-oxa-6-azaspiro[2.5]octan-4-ol is sourced from PubChem (CID 11809038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).