Skip to content

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

C35H41F2NO4 — CID 157038953

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.