tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid

C17H36N2O3Si — CID 67130699

IUPACtert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid
SMILESC[C@H]1CNC[C@@H](N(C(=O)O)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36N2O3Si/c1-12-10-18-11-13(19(15(20)21)16(2,3)4)14(12)22-23(8,9)17(5,6)7/h12-14,18H,10-11H2,1-9H3,(H,20,21)/t12-,13+,14-/m0/s1
InChIKeyWTWBJADKFZSKRW-MJBXVCDLSA-N
MW344.57 g/mol
LogP3.76
Rot. Bonds3

About tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid

tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid (PubChem CID 67130699) has the molecular formula C17H36N2O3Si and a molecular weight of 344.57 g/mol. Its IUPAC name is tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid
PubChem CID67130699
Molecular FormulaC17H36N2O3Si
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC Nametert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid
SMILESC[C@H]1CNC[C@@H](N(C(=O)O)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36N2O3Si/c1-12-10-18-11-13(19(15(20)21)16(2,3)4)14(12)22-23(8,9)17(5,6)7/h12-14,18H,10-11H2,1-9H3,(H,20,21)/t12-,13+,14-/m0/s1
InChIKeyWTWBJADKFZSKRW-MJBXVCDLSA-N
XLogP3.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid?
The IUPAC name of tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid (CID 67130699) is tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid is C[C@H]1CNC[C@@H](N(C(=O)O)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid?
The InChIKey is WTWBJADKFZSKRW-MJBXVCDLSA-N. The full InChI is InChI=1S/C17H36N2O3Si/c1-12-10-18-11-13(19(15(20)21)16(2,3)4)14(12)22-23(8,9)17(5,6)7/h12-14,18H,10-11H2,1-9H3,(H,20,21)/t12-,13+,14-/m0/s1.
What are the key properties of tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid?
tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid has a molecular weight of 344.57 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid is sourced from PubChem (CID 67130699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).