[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol

C25H34F3N3O2 — CID 162544336

IUPAC[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol
SMILESCc1cc(C(O)N2CCC3(CC2)NCC(C)(C)n2c(C(F)(F)F)ccc23)ccc1OC(C)C
InChIInChI=1S/C25H34F3N3O2/c1-16(2)33-19-7-6-18(14-17(19)3)22(32)30-12-10-24(11-13-30)20-8-9-21(25(26,27)28)31(20)23(4,5)15-29-24/h6-9,14,16,22,29,32H,10-13,15H2,1-5H3
InChIKeyQAKHSMKEEKWQAD-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.92
Rot. Bonds4

About [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol

[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol (PubChem CID 162544336) has the molecular formula C25H34F3N3O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol
PubChem CID162544336
Molecular FormulaC25H34F3N3O2
Molecular Weight465.56 g/mol
Exact Mass465.26
IUPAC Name[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol
SMILESCc1cc(C(O)N2CCC3(CC2)NCC(C)(C)n2c(C(F)(F)F)ccc23)ccc1OC(C)C
InChIInChI=1S/C25H34F3N3O2/c1-16(2)33-19-7-6-18(14-17(19)3)22(32)30-12-10-24(11-13-30)20-8-9-21(25(26,27)28)31(20)23(4,5)15-29-24/h6-9,14,16,22,29,32H,10-13,15H2,1-5H3
InChIKeyQAKHSMKEEKWQAD-UHFFFAOYSA-N
XLogP4.92
TPSA49.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol?
The IUPAC name of [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol (CID 162544336) is [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol?
The canonical SMILES for [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol is Cc1cc(C(O)N2CCC3(CC2)NCC(C)(C)n2c(C(F)(F)F)ccc23)ccc1OC(C)C.
What is the InChIKey of [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol?
The InChIKey is QAKHSMKEEKWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F3N3O2/c1-16(2)33-19-7-6-18(14-17(19)3)22(32)30-12-10-24(11-13-30)20-8-9-21(25(26,27)28)31(20)23(4,5)15-29-24/h6-9,14,16,22,29,32H,10-13,15H2,1-5H3.
What are the key properties of [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol?
[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol has a molecular weight of 465.56 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 162544336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).