tert-butyl N-benzyl-N-piperidin-3-ylcarbamate

C17H26N2O2 — CID 54456558

IUPACtert-butyl N-benzyl-N-piperidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C1CCCNC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19(15-10-7-11-18-12-15)13-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3
InChIKeyWYPAJCZNFRUZHW-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds3

About tert-butyl N-benzyl-N-piperidin-3-ylcarbamate

tert-butyl N-benzyl-N-piperidin-3-ylcarbamate (PubChem CID 54456558) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-piperidin-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-piperidin-3-ylcarbamate
PubChem CID54456558
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl N-benzyl-N-piperidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C1CCCNC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19(15-10-7-11-18-12-15)13-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3
InChIKeyWYPAJCZNFRUZHW-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate
CID 67080607
tert-butyl N-(azepan-3-yl)-N-phenylcarbamate
CID 141141954
tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate
CID 163452966
tert-butyl N-(azepan-3-yl)-N-(2,2,2-trifluoroethyl)carbamate
CID 141103196
tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate
CID 84711204
tert-butyl N-[(4-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 175016181
tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
CID 23506980
tert-butyl N-[(3-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 69427895
(2R,4S)-4-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpyrrolidine-1-carboxylic acid
CID 57173006
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
tert-butyl N-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]carbamate
CID 18007435
tert-butyl N-[1-[benzyl(pyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate
CID 91487965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-piperidin-3-ylcarbamate?
The IUPAC name of tert-butyl N-benzyl-N-piperidin-3-ylcarbamate (CID 54456558) is tert-butyl N-benzyl-N-piperidin-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-piperidin-3-ylcarbamate?
The canonical SMILES for tert-butyl N-benzyl-N-piperidin-3-ylcarbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C1CCCNC1.
What is the InChIKey of tert-butyl N-benzyl-N-piperidin-3-ylcarbamate?
The InChIKey is WYPAJCZNFRUZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19(15-10-7-11-18-12-15)13-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-piperidin-3-ylcarbamate?
tert-butyl N-benzyl-N-piperidin-3-ylcarbamate has a molecular weight of 290.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-piperidin-3-ylcarbamate is sourced from PubChem (CID 54456558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).