tert-butyl 4-amino-2-iminopiperidine-1-carboxylate

C10H19N3O2 — CID 139825301

IUPACtert-butyl 4-amino-2-iminopiperidine-1-carboxylate
SMILES[H]/N=C1\CC(N)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-5-4-7(11)6-8(13)12/h7,12H,4-6,11H2,1-3H3/b12-8+
InChIKeyCCSNXQBFIVPSAP-XYOKQWHBSA-N
MW213.28 g/mol
LogP1.32
Rot. Bonds

About tert-butyl 4-amino-2-iminopiperidine-1-carboxylate

tert-butyl 4-amino-2-iminopiperidine-1-carboxylate (PubChem CID 139825301) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 4-amino-2-iminopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-2-iminopiperidine-1-carboxylate
PubChem CID139825301
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nametert-butyl 4-amino-2-iminopiperidine-1-carboxylate
SMILES[H]/N=C1\CC(N)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-5-4-7(11)6-8(13)12/h7,12H,4-6,11H2,1-3H3/b12-8+
InChIKeyCCSNXQBFIVPSAP-XYOKQWHBSA-N
XLogP1.32
TPSA79.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 4-carbamimidoylpiperidine-1-carboxylate
CID 44828660
Tert-butyl 3-carbamimidoylpiperidine-1-carboxylate
CID 50988067
Tert-butyl 2-carbamimidoylpiperidine-1-carboxylate
CID 50986444
[Amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium
CID 51387273
Tert-butyl 4-(2-amino-2-iminoethyl)piperidine-1-carboxylate
CID 58257491
Tert-butyl 4-(2-amino-2-iminoethyl)-2-methylpiperidine-1-carboxylate
CID 58257732
Carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride
CID 66718899
Tert-butyl 4-(2-iminopiperidin-1-yl)piperidine-1-carboxylate
CID 67232663
tert-butyl N-(1-carbamimidoylpiperidin-4-yl)-N-methylcarbamate
CID 67673079
tert-butyl (2R)-5-carbamimidoyl-2-methylpiperidine-1-carboxylate
CID 68058570
tert-butyl (2R,5S)-5-carbamimidoyl-2-methylpiperidine-1-carboxylate
CID 70213847
Tert-butyl 5-carbamimidoyl-2-methylpiperidine-1-carboxylate
CID 70215559

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-2-iminopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-2-iminopiperidine-1-carboxylate (CID 139825301) is tert-butyl 4-amino-2-iminopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-2-iminopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-2-iminopiperidine-1-carboxylate is [H]/N=C1\CC(N)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-amino-2-iminopiperidine-1-carboxylate?
The InChIKey is CCSNXQBFIVPSAP-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-5-4-7(11)6-8(13)12/h7,12H,4-6,11H2,1-3H3/b12-8+.
What are the key properties of tert-butyl 4-amino-2-iminopiperidine-1-carboxylate?
tert-butyl 4-amino-2-iminopiperidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-2-iminopiperidine-1-carboxylate is sourced from PubChem (CID 139825301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).