8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol

C23H28ClF3N4O — CID 155214872

IUPAC8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol
SMILESCc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(Cl)c3)(N(C)C)CC2)NC1O
InChIInChI=1S/C23H28ClF3N4O/c1-15-11-19(23(25,26)27)28-13-18(15)31-14-21(29-20(31)32)7-9-22(10-8-21,30(2)3)16-5-4-6-17(24)12-16/h4-6,11-13,20,29,32H,7-10,14H2,1-3H3
InChIKeyGIMRGHJENJLDJG-UHFFFAOYSA-N
MW468.95 g/mol
LogP4.52
Rot. Bonds3

About 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol

8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol (PubChem CID 155214872) has the molecular formula C23H28ClF3N4O and a molecular weight of 468.95 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol.

Molecular Properties

Compound Name8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol
PubChem CID155214872
Molecular FormulaC23H28ClF3N4O
Molecular Weight468.95 g/mol
Exact Mass468.19
IUPAC Name8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol
SMILESCc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(Cl)c3)(N(C)C)CC2)NC1O
InChIInChI=1S/C23H28ClF3N4O/c1-15-11-19(23(25,26)27)28-13-18(15)31-14-21(29-20(31)32)7-9-22(10-8-21,30(2)3)16-5-4-6-17(24)12-16/h4-6,11-13,20,29,32H,7-10,14H2,1-3H3
InChIKeyGIMRGHJENJLDJG-UHFFFAOYSA-N
XLogP4.52
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.95
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10807988, Example SC_3363
CID 130200828
US10807988, Example SC_3122
CID 130201128
US10807988, Example SC_3375
CID 130201148
US10807988, Example SC_3283
CID 130201390
US10807988, Example SC_3393
CID 130201444
US10807988, Example SC_3370
CID 130201528
US10807988, Example SC_3250
CID 130201568
US10807988, Example SC_3174
CID 130201009
US10807988, Example SC_3367
CID 130201050
(3-Chloro-4-fluoroanilino)-[[2-[4-(3-chlorophenyl)phenyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]amino]methanol
CID 59834771
(3-Chloro-4-fluoroanilino)-[[2-[4-(3-chlorophenyl)phenyl]-2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]ethyl]amino]methanol
CID 59834775
(2R,3S,4R)-3-amino-2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-N-(6-chloro-3-pyridinyl)-4-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 88958648

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol?
The IUPAC name of 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol (CID 155214872) is 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol.
What is the SMILES notation for 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol?
The canonical SMILES for 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol is Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(Cl)c3)(N(C)C)CC2)NC1O.
What is the InChIKey of 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol?
The InChIKey is GIMRGHJENJLDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClF3N4O/c1-15-11-19(23(25,26)27)28-13-18(15)31-14-21(29-20(31)32)7-9-22(10-8-21,30(2)3)16-5-4-6-17(24)12-16/h4-6,11-13,20,29,32H,7-10,14H2,1-3H3.
What are the key properties of 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol?
8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol has a molecular weight of 468.95 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol is sourced from PubChem (CID 155214872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).