2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol

C27H41NO2Si — CID 10433334

IUPAC2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(O)CC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H41NO2Si/c1-27(2,3)31(4,5)30-21-24-11-13-25(14-12-24)26(29)19-22-15-17-28(18-16-22)20-23-9-7-6-8-10-23/h6-14,22,26,29H,15-21H2,1-5H3
InChIKeyOCZWECPRBLZSHS-UHFFFAOYSA-N
MW439.72 g/mol
LogP6.54
Rot. Bonds8

About 2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol

2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol (PubChem CID 10433334) has the molecular formula C27H41NO2Si and a molecular weight of 439.72 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
PubChem CID10433334
Molecular FormulaC27H41NO2Si
Molecular Weight439.72 g/mol
Exact Mass439.29
IUPAC Name2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(O)CC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H41NO2Si/c1-27(2,3)31(4,5)30-21-24-11-13-25(14-12-24)26(29)19-22-15-17-28(18-16-22)20-23-9-7-6-8-10-23/h6-14,22,26,29H,15-21H2,1-5H3
InChIKeyOCZWECPRBLZSHS-UHFFFAOYSA-N
XLogP6.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.72
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol 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-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 171484955
2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane
CID 169005094
2-(1-benzylpiperidin-4-yl)-1-(3-chlorothiophen-2-yl)ethanol
CID 22248178
1-(1-benzylpiperidin-4-yl)-3-methylbutan-2-amine
CID 83983169
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanol
CID 23302982
2-[(1-benzylpiperidin-4-yl)-methylamino]phenol
CID 57245914
(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-cyclopropylmethanol
CID 57195011
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
CID 11075026
2-[(1-benzylpiperidin-4-yl)methyl]propanedioate;hydrochloride
CID 18386676

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol (CID 10433334) is 2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol is CC(C)(C)[Si](C)(C)OCc1ccc(C(O)CC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol?
The InChIKey is OCZWECPRBLZSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41NO2Si/c1-27(2,3)31(4,5)30-21-24-11-13-25(14-12-24)26(29)19-22-15-17-28(18-16-22)20-23-9-7-6-8-10-23/h6-14,22,26,29H,15-21H2,1-5H3.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol?
2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol has a molecular weight of 439.72 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol is sourced from PubChem (CID 10433334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).