tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate

C20H32N2O2 — CID 170788354

IUPACtert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1(C)C
InChIInChI=1S/C20H32N2O2/c1-19(2,3)24-18(23)21(6)17-12-13-22(15-20(17,4)5)14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3
InChIKeyVBQNPPCZLQOOPC-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.15
Rot. Bonds3

About tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate

tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate (PubChem CID 170788354) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate
PubChem CID170788354
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Nametert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1(C)C
InChIInChI=1S/C20H32N2O2/c1-19(2,3)24-18(23)21(6)17-12-13-22(15-20(17,4)5)14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3
InChIKeyVBQNPPCZLQOOPC-UHFFFAOYSA-N
XLogP4.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate
CID 167503825
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637607
tert-butyl N-[(2S)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637606
tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate
CID 46175795
methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67597365
tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
CID 91278962
tert-butyl (1-benzylpiperidin-4-yl)arsanylformate
CID 173186373
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate
CID 54190281
tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate
CID 54357267
tert-butyl (3R)-1-benzylpyrrolidine-3-carboxylate
CID 53487886
4-benzyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 123621487

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate (CID 170788354) is tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1(C)C.
What is the InChIKey of tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate?
The InChIKey is VBQNPPCZLQOOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-19(2,3)24-18(23)21(6)17-12-13-22(15-20(17,4)5)14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3.
What are the key properties of tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate?
tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate has a molecular weight of 332.49 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate is sourced from PubChem (CID 170788354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).