8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol

C26H35F6N3O — CID 138512701

IUPAC8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(C(F)(F)F)CC1)C(O)N2CC1(C(F)(F)F)CC1
InChIInChI=1S/C26H35F6N3O/c1-33(2)24(19-6-4-3-5-7-19)14-12-23(13-15-24)18-34(16-21(8-9-21)25(27,28)29)20(36)35(23)17-22(10-11-22)26(30,31)32/h3-7,20,36H,8-18H2,1-2H3
InChIKeyQTBMQTQSCLEYOL-UHFFFAOYSA-N
MW519.57 g/mol
LogP5.33
Rot. Bonds6

About 8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol

8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol (PubChem CID 138512701) has the molecular formula C26H35F6N3O and a molecular weight of 519.57 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol
PubChem CID138512701
Molecular FormulaC26H35F6N3O
Molecular Weight519.57 g/mol
Exact Mass519.27
IUPAC Name8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(C(F)(F)F)CC1)C(O)N2CC1(C(F)(F)F)CC1
InChIInChI=1S/C26H35F6N3O/c1-33(2)24(19-6-4-3-5-7-19)14-12-23(13-15-24)18-34(16-21(8-9-21)25(27,28)29)20(36)35(23)17-22(10-11-22)26(30,31)32/h3-7,20,36H,8-18H2,1-2H3
InChIKeyQTBMQTQSCLEYOL-UHFFFAOYSA-N
XLogP5.33
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.57
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol?
The IUPAC name of 8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol (CID 138512701) is 8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(C(F)(F)F)CC1)C(O)N2CC1(C(F)(F)F)CC1.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol?
The InChIKey is QTBMQTQSCLEYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F6N3O/c1-33(2)24(19-6-4-3-5-7-19)14-12-23(13-15-24)18-34(16-21(8-9-21)25(27,28)29)20(36)35(23)17-22(10-11-22)26(30,31)32/h3-7,20,36H,8-18H2,1-2H3.
What are the key properties of 8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol?
8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol has a molecular weight of 519.57 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-phenyl-1,3-bis[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3-diazaspiro[4.5]decan-2-ol is sourced from PubChem (CID 138512701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).