4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate

C29H35FNO5Si- — CID 22127455

IUPAC4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
SMILESC[Si](C)(C)CCOCOc1c(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C29H36FNO5Si/c1-37(2,3)17-16-34-20-36-28-23(9-8-21-6-4-5-7-26(21)28)19-35-27-18-31(29(32)33)15-14-25(27)22-10-12-24(30)13-11-22/h4-13,25,27H,14-20H2,1-3H3,(H,32,33)/p-1
InChIKeyCJMQZKBIAOXELJ-UHFFFAOYSA-M
MW524.69 g/mol
LogP5.39
Rot. Bonds10

About 4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate

4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate (PubChem CID 22127455) has the molecular formula C29H35FNO5Si- and a molecular weight of 524.69 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
PubChem CID22127455
Molecular FormulaC29H35FNO5Si-
Molecular Weight524.69 g/mol
Exact Mass524.23
IUPAC Name4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
SMILESC[Si](C)(C)CCOCOc1c(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C29H36FNO5Si/c1-37(2,3)17-16-34-20-36-28-23(9-8-21-6-4-5-7-26(21)28)19-35-27-18-31(29(32)33)15-14-25(27)22-10-12-24(30)13-11-22/h4-13,25,27H,14-20H2,1-3H3,(H,32,33)/p-1
InChIKeyCJMQZKBIAOXELJ-UHFFFAOYSA-M
XLogP5.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.69
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22127874
4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22127187
4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126819
4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[6-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22128128
3-[[1-(2-methoxyethoxy)naphthalen-2-yl]methoxy]-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate
CID 22127599
4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128461
2-trimethylsilylethyl 4-(4-fluorophenyl)-3-[[5-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 90838286
3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
CID 22128308
4-[4-(2-pyridin-2-ylsulfanylethyl)phenyl]-3-[[4-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22128357
4-[4-[2-(pyridin-3-ylmethoxy)ethoxy]phenyl]-3-[[4-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22128786
2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
CID 22127049
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126950

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate?
The IUPAC name of 4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate (CID 22127455) is 4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for 4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate is C[Si](C)(C)CCOCOc1c(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)ccc2ccccc12.
What is the InChIKey of 4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate?
The InChIKey is CJMQZKBIAOXELJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H36FNO5Si/c1-37(2,3)17-16-34-20-36-28-23(9-8-21-6-4-5-7-26(21)28)19-35-27-18-31(29(32)33)15-14-25(27)22-10-12-24(30)13-11-22/h4-13,25,27H,14-20H2,1-3H3,(H,32,33)/p-1.
What are the key properties of 4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate?
4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate has a molecular weight of 524.69 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 22127455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).