3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid

C23H39NO4Si — CID 172721055

IUPAC3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid
SMILESCCOCCCO[C@@H](c1ccccc1)C1CCCN(C(=O)O)C1CC[Si](C)(C)C
InChIInChI=1S/C23H39NO4Si/c1-5-27-16-10-17-28-22(19-11-7-6-8-12-19)20-13-9-15-24(23(25)26)21(20)14-18-29(2,3)4/h6-8,11-12,20-22H,5,9-10,13-18H2,1-4H3,(H,25,26)/t20?,21?,22-/m0/s1
InChIKeyGNBSURIGWFQRKK-HRTMPFAESA-N
MW421.65 g/mol
LogP5.66
Rot. Bonds11

About 3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid

3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid (PubChem CID 172721055) has the molecular formula C23H39NO4Si and a molecular weight of 421.65 g/mol. Its IUPAC name is 3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid
PubChem CID172721055
Molecular FormulaC23H39NO4Si
Molecular Weight421.65 g/mol
Exact Mass421.26
IUPAC Name3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid
SMILESCCOCCCO[C@@H](c1ccccc1)C1CCCN(C(=O)O)C1CC[Si](C)(C)C
InChIInChI=1S/C23H39NO4Si/c1-5-27-16-10-17-28-22(19-11-7-6-8-12-19)20-13-9-15-24(23(25)26)21(20)14-18-29(2,3)4/h6-8,11-12,20-22H,5,9-10,13-18H2,1-4H3,(H,25,26)/t20?,21?,22-/m0/s1
InChIKeyGNBSURIGWFQRKK-HRTMPFAESA-N
XLogP5.66
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.65
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic 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

rac-benzyl (2R,4R)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 10586714
Benzyl (2S,5S)-5-(hydroxymethyl)-2-methyl-piperidine-1-carboxylate
CID 124523410
BenZyl 4-[(t-butyldimethylsilyl)oxy]piperidine-1-carboxylate
CID 101381363
(R)-tert-butyl 3-((R)-(3-fluorophenyl)(2-hydroxyethoxy)methyl)piperidine-1-carboxylate
CID 58011549
(3R)-tert-butyl 3-((2,3-difluorophenyl)(2-hydroxyethoxy)methyl)piperidine-1-carboxylate
CID 59201577
tert-Butyl 3-((3-methoxypropoxy)(2-fluorophenyl)methyl)piperidine-1-carboxylate
CID 59382867
4-[4-[(2,2-Difluoro-3-propan-2-yloxypropoxy)methyl]phenyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylic acid
CID 66717678
4-(3-Fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylic acid
CID 66717959
3-[(2-Fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid
CID 67193971
tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate
CID 67364387
Tert-butyl 3-[(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate
CID 67364394
Tert-butyl 3-[(2,3-difluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate
CID 68716185

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid (CID 172721055) is 3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid is CCOCCCO[C@@H](c1ccccc1)C1CCCN(C(=O)O)C1CC[Si](C)(C)C.
What is the InChIKey of 3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid?
The InChIKey is GNBSURIGWFQRKK-HRTMPFAESA-N. The full InChI is InChI=1S/C23H39NO4Si/c1-5-27-16-10-17-28-22(19-11-7-6-8-12-19)20-13-9-15-24(23(25)26)21(20)14-18-29(2,3)4/h6-8,11-12,20-22H,5,9-10,13-18H2,1-4H3,(H,25,26)/t20?,21?,22-/m0/s1.
What are the key properties of 3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid?
3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid has a molecular weight of 421.65 g/mol, XLogP of 5.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 172721055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).