3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol

C26H35NO2 — CID 1286998

IUPAC3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol
SMILESCC1(C)C[C@@]2(CCCN(CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1
InChIInChI=1S/C26H35NO2/c1-24(2)20-25(16-19-29-24)14-9-17-27(21-25)18-15-26(28,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,28H,9,14-21H2,1-2H3/t25-/m1/s1
InChIKeyVDJUFCKVEFSUKN-RUZDIDTESA-N
MW393.57 g/mol
LogP4.98
Rot. Bonds5

About 3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol

3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol (PubChem CID 1286998) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is 3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol
PubChem CID1286998
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol
SMILESCC1(C)C[C@@]2(CCCN(CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1
InChIInChI=1S/C26H35NO2/c1-24(2)20-25(16-19-29-24)14-9-17-27(21-25)18-15-26(28,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,28H,9,14-21H2,1-2H3/t25-/m1/s1
InChIKeyVDJUFCKVEFSUKN-RUZDIDTESA-N
XLogP4.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol with MolForge

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Related Compounds

2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol
CID 7302177
2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol
CID 116694964
1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
CID 163322578
1-(4-chlorophenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 4072683
4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol
CID 127900251
2-[[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 135622943
(6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane
CID 94798251
3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-1,1-diphenylpropan-1-ol
CID 23441029
(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 7128599
(1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol
CID 166211934
2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 45226995
3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpropan-1-ol
CID 92853219

Frequently Asked Questions

What is the IUPAC name of 3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol (CID 1286998) is 3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol is CC1(C)C[C@@]2(CCCN(CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1.
What is the InChIKey of 3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol?
The InChIKey is VDJUFCKVEFSUKN-RUZDIDTESA-N. The full InChI is InChI=1S/C26H35NO2/c1-24(2)20-25(16-19-29-24)14-9-17-27(21-25)18-15-26(28,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,28H,9,14-21H2,1-2H3/t25-/m1/s1.
What are the key properties of 3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol?
3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol has a molecular weight of 393.57 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 1286998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).