[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid

C14H29FN2O3Si — CID 68610096

IUPAC[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC(NC(=O)O)C(F)C1
InChIInChI=1S/C14H29FN2O3Si/c1-14(2,3)21(4,5)20-9-8-17-7-6-12(11(15)10-17)16-13(18)19/h11-12,16H,6-10H2,1-5H3,(H,18,19)
InChIKeyUZRJBVFPKOZKLN-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.69
Rot. Bonds5

About [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid (PubChem CID 68610096) has the molecular formula C14H29FN2O3Si and a molecular weight of 320.48 g/mol. Its IUPAC name is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid
PubChem CID68610096
Molecular FormulaC14H29FN2O3Si
Molecular Weight320.48 g/mol
Exact Mass320.19
IUPAC Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC(NC(=O)O)C(F)C1
InChIInChI=1S/C14H29FN2O3Si/c1-14(2,3)21(4,5)20-9-8-17-7-6-12(11(15)10-17)16-13(18)19/h11-12,16H,6-10H2,1-5H3,(H,18,19)
InChIKeyUZRJBVFPKOZKLN-UHFFFAOYSA-N
XLogP2.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane
CID 90288475
tert-butyl N-[(3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]carbamate
CID 176898296
2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane
CID 169005094
1-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]propyl]-2-ethylpiperidine-3-carboxylic acid
CID 69070672
4-O-[2-(3,4-difluoropiperidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 149193652
[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-yl]methanol
CID 140851328
tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropiperidine-1-carboxylate
CID 175554462
tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate
CID 58007307
(2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol
CID 171548487
4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid
CID 90367853
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713516
benzhydryl (6R,7R)-3-[2-[(3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-3-yl]sulfanylethenyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 139923588

Frequently Asked Questions

What is the IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid (CID 68610096) is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid is CC(C)(C)[Si](C)(C)OCCN1CCC(NC(=O)O)C(F)C1.
What is the InChIKey of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid?
The InChIKey is UZRJBVFPKOZKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O3Si/c1-14(2,3)21(4,5)20-9-8-17-7-6-12(11(15)10-17)16-13(18)19/h11-12,16H,6-10H2,1-5H3,(H,18,19).
What are the key properties of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid?
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid has a molecular weight of 320.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid is sourced from PubChem (CID 68610096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).