tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate

C23H40N2O3Si — CID 167375984

IUPACtert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(C)(C)[Si](C)(C)O)CN(Cc2ccccc2)C1
InChIInChI=1S/C23H40N2O3Si/c1-22(2,3)28-21(26)24-20-13-19(14-23(4,5)29(6,7)27)16-25(17-20)15-18-11-9-8-10-12-18/h8-12,19-20,27H,13-17H2,1-7H3,(H,24,26)/t19-,20-/m0/s1
InChIKeyGFZOBURHUMIJKO-PMACEKPBSA-N
MW420.67 g/mol
LogP4.77
Rot. Bonds6

About tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate

tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate (PubChem CID 167375984) has the molecular formula C23H40N2O3Si and a molecular weight of 420.67 g/mol. Its IUPAC name is tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate
PubChem CID167375984
Molecular FormulaC23H40N2O3Si
Molecular Weight420.67 g/mol
Exact Mass420.28
IUPAC Nametert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(C)(C)[Si](C)(C)O)CN(Cc2ccccc2)C1
InChIInChI=1S/C23H40N2O3Si/c1-22(2,3)28-21(26)24-20-13-19(14-23(4,5)29(6,7)27)16-25(17-20)15-18-11-9-8-10-12-18/h8-12,19-20,27H,13-17H2,1-7H3,(H,24,26)/t19-,20-/m0/s1
InChIKeyGFZOBURHUMIJKO-PMACEKPBSA-N
XLogP4.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.67
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
tert-butyl N-[(3R)-1-[(4-benzoylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 141133499
tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate
CID 95242183
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
tert-butyl N-[(3S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 70110064
tert-butyl N-[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]carbamate
CID 124748766
methyl (3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
CID 67801118
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
tert-butyl N-[(3aS,4R,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate;tert-butyl N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 78358060
tert-butyl N-[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]carbamate
CID 90708252

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate (CID 167375984) is tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(C)(C)[Si](C)(C)O)CN(Cc2ccccc2)C1.
What is the InChIKey of tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate?
The InChIKey is GFZOBURHUMIJKO-PMACEKPBSA-N. The full InChI is InChI=1S/C23H40N2O3Si/c1-22(2,3)28-21(26)24-20-13-19(14-23(4,5)29(6,7)27)16-25(17-20)15-18-11-9-8-10-12-18/h8-12,19-20,27H,13-17H2,1-7H3,(H,24,26)/t19-,20-/m0/s1.
What are the key properties of tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate has a molecular weight of 420.67 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,5S)-1-benzyl-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 167375984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).