8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol

C28H30F2N2O — CID 118962915

IUPAC8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol
SMILESOC1CN(Cc2ccccc2)CCC12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C28H30F2N2O/c29-24-10-6-22(7-11-24)27(23-8-12-25(30)13-9-23)32-17-15-28(20-32)14-16-31(19-26(28)33)18-21-4-2-1-3-5-21/h1-13,26-27,33H,14-20H2
InChIKeyQSZSUIYQLCNRLV-UHFFFAOYSA-N
MW448.56 g/mol
LogP5.01
Rot. Bonds5

About 8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol

8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol (PubChem CID 118962915) has the molecular formula C28H30F2N2O and a molecular weight of 448.56 g/mol. Its IUPAC name is 8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol
PubChem CID118962915
Molecular FormulaC28H30F2N2O
Molecular Weight448.56 g/mol
Exact Mass448.23
IUPAC Name8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol
SMILESOC1CN(Cc2ccccc2)CCC12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C28H30F2N2O/c29-24-10-6-22(7-11-24)27(23-8-12-25(30)13-9-23)32-17-15-28(20-32)14-16-31(19-26(28)33)18-21-4-2-1-3-5-21/h1-13,26-27,33H,14-20H2
InChIKeyQSZSUIYQLCNRLV-UHFFFAOYSA-N
XLogP5.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-6-azaspiro[2.5]octan-8-ol
CID 66783213
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
(5R,6R)-2-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-6-ol;(5R,6S)-2-[bis(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-6-ol
CID 159271370
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
[(2R)-4-benzylmorpholin-2-yl]-(4-fluorophenyl)methanol
CID 69431465
(2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane
CID 121314970
N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
tert-butyl 2-[bis(4-fluorophenyl)methyl]-10-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118962923
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715
(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
CID 22495756

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol?
The IUPAC name of 8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol (CID 118962915) is 8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol.
What is the SMILES notation for 8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol?
The canonical SMILES for 8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol is OC1CN(Cc2ccccc2)CCC12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)C2.
What is the InChIKey of 8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol?
The InChIKey is QSZSUIYQLCNRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N2O/c29-24-10-6-22(7-11-24)27(23-8-12-25(30)13-9-23)32-17-15-28(20-32)14-16-31(19-26(28)33)18-21-4-2-1-3-5-21/h1-13,26-27,33H,14-20H2.
What are the key properties of 8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol?
8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol has a molecular weight of 448.56 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-6-ol is sourced from PubChem (CID 118962915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).