[(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol

C22H28N2O — CID 134953074

IUPAC[(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol
SMILESCN1CC[C@@]2(C1)[C@@H](c1ccccc1)[C@H](CO)N(C)[C@@H]2c1ccccc1
InChIInChI=1S/C22H28N2O/c1-23-14-13-22(16-23)20(17-9-5-3-6-10-17)19(15-25)24(2)21(22)18-11-7-4-8-12-18/h3-12,19-21,25H,13-16H2,1-2H3/t19-,20-,21+,22+/m0/s1
InChIKeyJWXHYIFEGYYCRV-FNAHDJPLSA-N
MW336.48 g/mol
LogP3.14
Rot. Bonds3

About [(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol

[(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol (PubChem CID 134953074) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is [(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol.

Molecular Properties

Compound Name[(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol
PubChem CID134953074
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name[(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol
SMILESCN1CC[C@@]2(C1)[C@@H](c1ccccc1)[C@H](CO)N(C)[C@@H]2c1ccccc1
InChIInChI=1S/C22H28N2O/c1-23-14-13-22(16-23)20(17-9-5-3-6-10-17)19(15-25)24(2)21(22)18-11-7-4-8-12-18/h3-12,19-21,25H,13-16H2,1-2H3/t19-,20-,21+,22+/m0/s1
InChIKeyJWXHYIFEGYYCRV-FNAHDJPLSA-N
XLogP3.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol?
The IUPAC name of [(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol (CID 134953074) is [(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol.
What is the SMILES notation for [(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol?
The canonical SMILES for [(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol is CN1CC[C@@]2(C1)[C@@H](c1ccccc1)[C@H](CO)N(C)[C@@H]2c1ccccc1.
What is the InChIKey of [(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol?
The InChIKey is JWXHYIFEGYYCRV-FNAHDJPLSA-N. The full InChI is InChI=1S/C22H28N2O/c1-23-14-13-22(16-23)20(17-9-5-3-6-10-17)19(15-25)24(2)21(22)18-11-7-4-8-12-18/h3-12,19-21,25H,13-16H2,1-2H3/t19-,20-,21+,22+/m0/s1.
What are the key properties of [(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol?
[(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol has a molecular weight of 336.48 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,4R,5S)-2,7-dimethyl-1,4-diphenyl-2,7-diazaspiro[4.4]nonan-3-yl]methanol is sourced from PubChem (CID 134953074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).