tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate

C20H32N2O2 — CID 54593744

IUPACtert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate
SMILESCC1CC(C)N(Cc2ccccc2)C(C)C1NC(=O)OC(C)(C)C
InChIInChI=1S/C20H32N2O2/c1-14-12-15(2)22(13-17-10-8-7-9-11-17)16(3)18(14)21-19(23)24-20(4,5)6/h7-11,14-16,18H,12-13H2,1-6H3,(H,21,23)
InChIKeyWJXVFKYBSHGCGK-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.20
Rot. Bonds3

About tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate

tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate (PubChem CID 54593744) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate
PubChem CID54593744
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Nametert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate
SMILESCC1CC(C)N(Cc2ccccc2)C(C)C1NC(=O)OC(C)(C)C
InChIInChI=1S/C20H32N2O2/c1-14-12-15(2)22(13-17-10-8-7-9-11-17)16(3)18(14)21-19(23)24-20(4,5)6/h7-11,14-16,18H,12-13H2,1-6H3,(H,21,23)
InChIKeyWJXVFKYBSHGCGK-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate
CID 99723977
tert-butyl N-[(3S,4R,6S)-1-benzyl-4,6-dimethylpiperidin-3-yl]carbamate
CID 124710264
tert-butyl N-[(3R,4S,6R)-1-benzyl-4,6-dimethylpiperidin-3-yl]carbamate
CID 95242142
tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate
CID 95242120
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(2S)-1-benzylpyrrolidin-2-yl]carbamate
CID 10754954
tert-butyl N-[(2R,3R,4R)-1-benzyl-2,3-dimethylpiperidin-4-yl]carbamate
CID 124526422
tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate
CID 95242183
tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate
CID 23577315
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]carbamate
CID 124748766

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate (CID 54593744) is tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate is CC1CC(C)N(Cc2ccccc2)C(C)C1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate?
The InChIKey is WJXVFKYBSHGCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-14-12-15(2)22(13-17-10-8-7-9-11-17)16(3)18(14)21-19(23)24-20(4,5)6/h7-11,14-16,18H,12-13H2,1-6H3,(H,21,23).
What are the key properties of tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate?
tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate has a molecular weight of 332.49 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate is sourced from PubChem (CID 54593744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).