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

C35H41F2NO4 — CID 157038953

IUPAC[4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
SMILESCC(F)(F)C1CCC(C(=O)N2CC(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2)CC1
InChIInChI=1S/C35H41F2NO4/c1-35(36,37)30-19-17-29(18-20-30)34(39)38-21-31(40-23-26-11-5-2-6-12-26)33(42-25-28-15-9-4-10-16-28)32(22-38)41-24-27-13-7-3-8-14-27/h2-16,29-33H,17-25H2,1H3
InChIKeyNVLYKPCREQCTRI-UHFFFAOYSA-N
MW577.71 g/mol
LogP7.05
Rot. Bonds11

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

[4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone (PubChem CID 157038953) has the molecular formula C35H41F2NO4 and a molecular weight of 577.71 g/mol. Its IUPAC name is [4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
PubChem CID157038953
Molecular FormulaC35H41F2NO4
Molecular Weight577.71 g/mol
Exact Mass577.30
IUPAC Name[4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
SMILESCC(F)(F)C1CCC(C(=O)N2CC(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2)CC1
InChIInChI=1S/C35H41F2NO4/c1-35(36,37)30-19-17-29(18-20-30)34(39)38-21-31(40-23-26-11-5-2-6-12-26)33(42-25-28-15-9-4-10-16-28)32(22-38)41-24-27-13-7-3-8-14-27/h2-16,29-33H,17-25H2,1H3
InChIKeyNVLYKPCREQCTRI-UHFFFAOYSA-N
XLogP7.05
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.71
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(1,1-difluoroethyl)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
2-(2,6-Difluoro-3-methylphenyl)-1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]ethanone
CID 42691677
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

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone (CID 157038953) is [4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone is CC(F)(F)C1CCC(C(=O)N2CC(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2)CC1.
What is the InChIKey of [4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone?
The InChIKey is NVLYKPCREQCTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41F2NO4/c1-35(36,37)30-19-17-29(18-20-30)34(39)38-21-31(40-23-26-11-5-2-6-12-26)33(42-25-28-15-9-4-10-16-28)32(22-38)41-24-27-13-7-3-8-14-27/h2-16,29-33H,17-25H2,1H3.
What are the key properties of [4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone?
[4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone has a molecular weight of 577.71 g/mol, XLogP of 7.05, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 157038953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).