1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]

C27H27F3N2 — CID 167057984

IUPAC1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]
SMILESFC(F)(F)Cc1ccc(-c2ccc(CN3CCC4(CC3)Cc3ccncc3C4)cc2)cc1
InChIInChI=1S/C27H27F3N2/c28-27(29,30)15-20-1-5-22(6-2-20)23-7-3-21(4-8-23)19-32-13-10-26(11-14-32)16-24-9-12-31-18-25(24)17-26/h1-9,12,18H,10-11,13-17,19H2
InChIKeyMMMIZJWXMDGQOR-UHFFFAOYSA-N
MW436.52 g/mol
LogP6.23
Rot. Bonds4

About 1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]

1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine] (PubChem CID 167057984) has the molecular formula C27H27F3N2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine].

Molecular Properties

Compound Name1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]
PubChem CID167057984
Molecular FormulaC27H27F3N2
Molecular Weight436.52 g/mol
Exact Mass436.21
IUPAC Name1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]
SMILESFC(F)(F)Cc1ccc(-c2ccc(CN3CCC4(CC3)Cc3ccncc3C4)cc2)cc1
InChIInChI=1S/C27H27F3N2/c28-27(29,30)15-20-1-5-22(6-2-20)23-7-3-21(4-8-23)19-32-13-10-26(11-14-32)16-24-9-12-31-18-25(24)17-26/h1-9,12,18H,10-11,13-17,19H2
InChIKeyMMMIZJWXMDGQOR-UHFFFAOYSA-N
XLogP6.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine] with MolForge

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Related Compounds

9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
1,1,1-trifluoro-2-[3-fluoro-4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)phenyl]phenyl]propan-2-ol
CID 167058085
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 89215723
9-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155833804
5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 167838263
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
8-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155845530
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
3-(pyridin-2-ylmethyl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane;tetrakis(2,2,2-trifluoroacetic acid)
CID 155847164
2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155829242
4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid
CID 167777899

Frequently Asked Questions

What is the IUPAC name of 1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]?
The IUPAC name of 1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine] (CID 167057984) is 1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine].
What is the SMILES notation for 1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]?
The canonical SMILES for 1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine] is FC(F)(F)Cc1ccc(-c2ccc(CN3CCC4(CC3)Cc3ccncc3C4)cc2)cc1.
What is the InChIKey of 1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]?
The InChIKey is MMMIZJWXMDGQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2/c28-27(29,30)15-20-1-5-22(6-2-20)23-7-3-21(4-8-23)19-32-13-10-26(11-14-32)16-24-9-12-31-18-25(24)17-26/h1-9,12,18H,10-11,13-17,19H2.
What are the key properties of 1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]?
1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine] has a molecular weight of 436.52 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]methyl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine] is sourced from PubChem (CID 167057984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).