1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one

C28H40ClNO2Si — CID 154253554

IUPAC1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C)[SiH2]OC(C)(C)C1(c2ccccc2)CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H40ClNO2Si/c1-25(2,3)33-32-27(6,7)28(22-11-9-8-10-12-22)17-19-30(20-18-28)24(31)26(4,5)21-13-15-23(29)16-14-21/h8-16H,17-20,33H2,1-7H3
InChIKeyBJVKDWJFLHFUFJ-UHFFFAOYSA-N
MW486.17 g/mol
LogP6.28
Rot. Bonds6

About 1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one

1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one (PubChem CID 154253554) has the molecular formula C28H40ClNO2Si and a molecular weight of 486.17 g/mol. Its IUPAC name is 1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one
PubChem CID154253554
Molecular FormulaC28H40ClNO2Si
Molecular Weight486.17 g/mol
Exact Mass485.25
IUPAC Name1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C)[SiH2]OC(C)(C)C1(c2ccccc2)CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H40ClNO2Si/c1-25(2,3)33-32-27(6,7)28(22-11-9-8-10-12-22)17-19-30(20-18-28)24(31)26(4,5)21-13-15-23(29)16-14-21/h8-16H,17-20,33H2,1-7H3
InChIKeyBJVKDWJFLHFUFJ-UHFFFAOYSA-N
XLogP6.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.17
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 11717371
2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one
CID 11717611
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 20607370
[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 154427186
1-(azepan-1-yl)-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 11673560
1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168579
2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 75402758
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120805682
4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509937
3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63146380
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 35025394

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one (CID 154253554) is 1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one is CC(C)(C)[SiH2]OC(C)(C)C1(c2ccccc2)CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one?
The InChIKey is BJVKDWJFLHFUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40ClNO2Si/c1-25(2,3)33-32-27(6,7)28(22-11-9-8-10-12-22)17-19-30(20-18-28)24(31)26(4,5)21-13-15-23(29)16-14-21/h8-16H,17-20,33H2,1-7H3.
What are the key properties of 1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one?
1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one has a molecular weight of 486.17 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 154253554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).