2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid

C19H31NO3Si — CID 122412729

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCN(C(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-16-11-13-20(14-12-16)17(18(21)22)15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3,(H,21,22)
InChIKeyMPULVHAADBIYDC-UHFFFAOYSA-N
MW349.55 g/mol
LogP4.30
Rot. Bonds5

About 2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid

2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid (PubChem CID 122412729) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid
PubChem CID122412729
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCN(C(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-16-11-13-20(14-12-16)17(18(21)22)15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3,(H,21,22)
InChIKeyMPULVHAADBIYDC-UHFFFAOYSA-N
XLogP4.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid 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-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
Butopiprine
CID 71735
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-(dipropylamino)-2-phenylpropanoate
CID 57391772
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-(dimethylamino)-2-phenylpropanoate
CID 57393500
2-(2-Methylpiperidin-1-yl)-2-phenylacetic acid hydrochloride
CID 16189438
2-(Dimethylamino)-2-phenylacetic acid
CID 315599
Bietamiverine Hydrochloride
CID 72063
Ethyl alpha-phenyl-1-piperidineacetate
CID 202135
2-(4-Methylpiperazin-1-yl)-2-phenylacetic acid
CID 22957262
2-Phenyl-2-(piperidin-1-yl)acetic acid
CID 408627

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid (CID 122412729) is 2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid is CC(C)(C)[Si](C)(C)OC1CCN(C(C(=O)O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid?
The InChIKey is MPULVHAADBIYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-16-11-13-20(14-12-16)17(18(21)22)15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3,(H,21,22).
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid?
2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid has a molecular weight of 349.55 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-phenylacetic acid is sourced from PubChem (CID 122412729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).