tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate

C13H27N3O2 — CID 134435069

IUPACtert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate
SMILESCC(C)N1CCC(N)C(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H27N3O2/c1-9(2)16-7-6-10(14)11(8-16)15-12(17)18-13(3,4)5/h9-11H,6-8,14H2,1-5H3,(H,15,17)
InChIKeyWUYUNUBMGOUIQT-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate

tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate (PubChem CID 134435069) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate
PubChem CID134435069
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate
SMILESCC(C)N1CCC(N)C(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H27N3O2/c1-9(2)16-7-6-10(14)11(8-16)15-12(17)18-13(3,4)5/h9-11H,6-8,14H2,1-5H3,(H,15,17)
InChIKeyWUYUNUBMGOUIQT-UHFFFAOYSA-N
XLogP1.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 91362762
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 139434729
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 66621710
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
CID 20801241
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylpiperidine-3-carboxylic acid
CID 112544400
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate (CID 134435069) is tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate is CC(C)N1CCC(N)C(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate?
The InChIKey is WUYUNUBMGOUIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-9(2)16-7-6-10(14)11(8-16)15-12(17)18-13(3,4)5/h9-11H,6-8,14H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate?
tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate has a molecular weight of 257.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate is sourced from PubChem (CID 134435069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).