[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium

C11H22N3O2+ — CID 51387273

IUPAC[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium
SMILESCC(C)(C)OC(=O)N1CCC(C(N)=[NH2+])CC1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-6-4-8(5-7-14)9(12)13/h8H,4-7H2,1-3H3,(H3,12,13)/p+1
InChIKeyZDZXZKQTFNUKKG-UHFFFAOYSA-O
MW228.32 g/mol
LogP-0.25
Rot. Bonds1

About [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium

[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium (PubChem CID 51387273) has the molecular formula C11H22N3O2+ and a molecular weight of 228.32 g/mol. Its IUPAC name is [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium
PubChem CID51387273
Molecular FormulaC11H22N3O2+
Molecular Weight228.32 g/mol
Exact Mass228.17
IUPAC Name[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium
SMILESCC(C)(C)OC(=O)N1CCC(C(N)=[NH2+])CC1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-6-4-8(5-7-14)9(12)13/h8H,4-7H2,1-3H3,(H3,12,13)/p+1
InChIKeyZDZXZKQTFNUKKG-UHFFFAOYSA-O
XLogP-0.25
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-tert-Butyloxycarbonyl-4-(N-Hydroxycarbamimidoyl)piperidine
CID 21937254
tert-butyl 3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate
CID 44828659
tert-butyl 3-((N'-hydroxycarbamimidoyl)methyl)piperidine-1-carboxylate
CID 50986437
tert-butyl 4-[(N'-hydroxycarbamimidoyl)methyl]piperidine-1-carboxylate
CID 54579874
Acetic acid; tert-butyl 3-carbamimidoylpiperidine-1-carboxylate
CID 137838635
Tert-butyl 4-carbamimidoylpiperidine-1-carboxylate dihydrochloride
CID 137838155
Tert-butyl 4-carbamimidoylpiperidine-1-carboxylate
CID 44828660
Tert-butyl 3-carbamimidoylpiperidine-1-carboxylate
CID 50988067
(S)-3-(N-Hydroxycarbamimidoyl)-piperidine-1-carboxylic Acid tert-butyl Ester
CID 52193652
1-Boc-3-(N-Hydroxycarbamimidoyl)piperidine
CID 53395131
Tert-butyl 4-carbamimidoylpiperidine-1-carboxylate acetate
CID 66650050
tert-butyl (3R,4R)-3-fluoro-4-methanimidoylpiperidine-1-carboxylate
CID 129077093

Frequently Asked Questions

What is the IUPAC name of [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium?
The IUPAC name of [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium (CID 51387273) is [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium.
What is the SMILES notation for [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium?
The canonical SMILES for [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium is CC(C)(C)OC(=O)N1CCC(C(N)=[NH2+])CC1.
What is the InChIKey of [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium?
The InChIKey is ZDZXZKQTFNUKKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-6-4-8(5-7-14)9(12)13/h8H,4-7H2,1-3H3,(H3,12,13)/p+1.
What are the key properties of [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium?
[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium has a molecular weight of 228.32 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]azanium is sourced from PubChem (CID 51387273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).