[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone

C30H42FNO2Si — CID 18762972

IUPAC[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
SMILESCC(C)(C)[Si](C)(C)OCC1(c2ccccc2)CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C30H42FNO2Si/c1-28(2,3)35(4,5)34-23-29(24-12-7-6-8-13-24)18-20-32(21-19-29)27(33)30(16-9-10-17-30)25-14-11-15-26(31)22-25/h6-8,11-15,22H,9-10,16-21,23H2,1-5H3
InChIKeyUVFGKDZBYNYJNR-UHFFFAOYSA-N
MW495.76 g/mol
LogP7.22
Rot. Bonds6

About [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone (PubChem CID 18762972) has the molecular formula C30H42FNO2Si and a molecular weight of 495.76 g/mol. Its IUPAC name is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone.

Molecular Properties

Compound Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
PubChem CID18762972
Molecular FormulaC30H42FNO2Si
Molecular Weight495.76 g/mol
Exact Mass495.30
IUPAC Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
SMILESCC(C)(C)[Si](C)(C)OCC1(c2ccccc2)CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C30H42FNO2Si/c1-28(2,3)35(4,5)34-23-29(24-12-7-6-8-13-24)18-20-32(21-19-29)27(33)30(16-9-10-17-30)25-14-11-15-26(31)22-25/h6-8,11-15,22H,9-10,16-21,23H2,1-5H3
InChIKeyUVFGKDZBYNYJNR-UHFFFAOYSA-N
XLogP7.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.76
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]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-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone?
The IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone (CID 18762972) is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone.
What is the SMILES notation for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone?
The canonical SMILES for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone is CC(C)(C)[Si](C)(C)OCC1(c2ccccc2)CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1.
What is the InChIKey of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone?
The InChIKey is UVFGKDZBYNYJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FNO2Si/c1-28(2,3)35(4,5)34-23-29(24-12-7-6-8-13-24)18-20-32(21-19-29)27(33)30(16-9-10-17-30)25-14-11-15-26(31)22-25/h6-8,11-15,22H,9-10,16-21,23H2,1-5H3.
What are the key properties of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone?
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone has a molecular weight of 495.76 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone is sourced from PubChem (CID 18762972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).