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

C34H39F2NO4 — CID 157039212

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
SMILESO=C(C1CCC(C(F)F)CC1)N1CC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1
InChIInChI=1S/C34H39F2NO4/c35-33(36)28-16-18-29(19-17-28)34(38)37-20-30(39-22-25-10-4-1-5-11-25)32(41-24-27-14-8-3-9-15-27)31(21-37)40-23-26-12-6-2-7-13-26/h1-15,28-33H,16-24H2
InChIKeyZVAUKGGUEVFDIL-UHFFFAOYSA-N
MW563.69 g/mol
LogP6.66
Rot. Bonds11

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

[4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone (PubChem CID 157039212) has the molecular formula C34H39F2NO4 and a molecular weight of 563.69 g/mol. Its IUPAC name is [4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
PubChem CID157039212
Molecular FormulaC34H39F2NO4
Molecular Weight563.69 g/mol
Exact Mass563.28
IUPAC Name[4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
SMILESO=C(C1CCC(C(F)F)CC1)N1CC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1
InChIInChI=1S/C34H39F2NO4/c35-33(36)28-16-18-29(19-17-28)34(38)37-20-30(39-22-25-10-4-1-5-11-25)32(41-24-27-14-8-3-9-15-27)31(21-37)40-23-26-12-6-2-7-13-26/h1-15,28-33H,16-24H2
InChIKeyZVAUKGGUEVFDIL-UHFFFAOYSA-N
XLogP6.66
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.69
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone (CID 157039212) is [4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone is O=C(C1CCC(C(F)F)CC1)N1CC(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1.
What is the InChIKey of [4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone?
The InChIKey is ZVAUKGGUEVFDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39F2NO4/c35-33(36)28-16-18-29(19-17-28)34(38)37-20-30(39-22-25-10-4-1-5-11-25)32(41-24-27-14-8-3-9-15-27)31(21-37)40-23-26-12-6-2-7-13-26/h1-15,28-33H,16-24H2.
What are the key properties of [4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone?
[4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone has a molecular weight of 563.69 g/mol, XLogP of 6.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 157039212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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