[2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane

C27H43NO2Si2 — CID 91733227

IUPAC[2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane
SMILESCC(C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H43NO2Si2/c1-22(28-19-17-24(18-20-28)21-23-11-9-8-10-12-23)27(30-32(5,6)7)25-13-15-26(16-14-25)29-31(2,3)4/h8-16,22,24,27H,17-21H2,1-7H3
InChIKeyRWEDHGPTWKQGME-UHFFFAOYSA-N
MW469.82 g/mol
LogP7.14
Rot. Bonds9

About [2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane

[2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane (PubChem CID 91733227) has the molecular formula C27H43NO2Si2 and a molecular weight of 469.82 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane
PubChem CID91733227
Molecular FormulaC27H43NO2Si2
Molecular Weight469.82 g/mol
Exact Mass469.28
IUPAC Name[2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane
SMILESCC(C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H43NO2Si2/c1-22(28-19-17-24(18-20-28)21-23-11-9-8-10-12-23)27(30-32(5,6)7)25-13-15-26(16-14-25)29-31(2,3)4/h8-16,22,24,27H,17-21H2,1-7H3
InChIKeyRWEDHGPTWKQGME-UHFFFAOYSA-N
XLogP7.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.82
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane 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

1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 159181965
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
CID 45258690
2-(4-benzylpiperidin-1-yl)pentan-3-amine
CID 43346352
3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine
CID 79415056
6-[4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 78411292
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62418483
2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62418678
4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine
CID 178044115

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane (CID 91733227) is [2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane is CC(C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane?
The InChIKey is RWEDHGPTWKQGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO2Si2/c1-22(28-19-17-24(18-20-28)21-23-11-9-8-10-12-23)27(30-32(5,6)7)25-13-15-26(16-14-25)29-31(2,3)4/h8-16,22,24,27H,17-21H2,1-7H3.
What are the key properties of [2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane?
[2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane has a molecular weight of 469.82 g/mol, XLogP of 7.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane is sourced from PubChem (CID 91733227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).