[4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone

C34H38F3NO4 — CID 157039009

IUPAC[4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CC1)N1CC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1
InChIInChI=1S/C34H38F3NO4/c35-34(36,37)29-18-16-28(17-19-29)33(39)38-20-30(40-22-25-10-4-1-5-11-25)32(42-24-27-14-8-3-9-15-27)31(21-38)41-23-26-12-6-2-7-13-26/h1-15,28-32H,16-24H2
InChIKeyOWQSXGAPIULWLB-UHFFFAOYSA-N
MW581.68 g/mol
LogP6.95
Rot. Bonds10

About [4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone

[4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone (PubChem CID 157039009) has the molecular formula C34H38F3NO4 and a molecular weight of 581.68 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
PubChem CID157039009
Molecular FormulaC34H38F3NO4
Molecular Weight581.68 g/mol
Exact Mass581.28
IUPAC Name[4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CC1)N1CC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1
InChIInChI=1S/C34H38F3NO4/c35-34(36,37)29-18-16-28(17-19-29)33(39)38-20-30(40-22-25-10-4-1-5-11-25)32(42-24-27-14-8-3-9-15-27)31(21-38)41-23-26-12-6-2-7-13-26/h1-15,28-32H,16-24H2
InChIKeyOWQSXGAPIULWLB-UHFFFAOYSA-N
XLogP6.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.68
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone
CID 134842569
3-Phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one
CID 46028658
1-[3-[(4-Fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 46028699
1-[3-[(2,4-Difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 46028857
1-[3-[(2,4-Difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028871
1-[3-[(3,4-Difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 46028881
1-[3-[(3,4-Difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028894
3-Phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one
CID 46028935
2-Phenyl-1-(3-{[3-(trifluoromethyl)phenyl]methoxy}piperidin-1-YL)ethan-1-one
CID 46028951
1-[3-[(2,3-Difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 46028964
1-[3-[(3,5-Difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 46028991
1-[3-[(3,5-Difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46029002

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone (CID 157039009) is [4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone is O=C(C1CCC(C(F)(F)F)CC1)N1CC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1.
What is the InChIKey of [4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone?
The InChIKey is OWQSXGAPIULWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F3NO4/c35-34(36,37)29-18-16-28(17-19-29)33(39)38-20-30(40-22-25-10-4-1-5-11-25)32(42-24-27-14-8-3-9-15-27)31(21-38)41-23-26-12-6-2-7-13-26/h1-15,28-32H,16-24H2.
What are the key properties of [4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone?
[4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone has a molecular weight of 581.68 g/mol, XLogP of 6.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 157039009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).