diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium

C11H23N4O2+ — CID 135979670

IUPACdiaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]([NH+]=C(N)N)C1
InChIInChI=1S/C11H22N4O2/c1-11(2,3)17-10(16)15-6-4-5-8(7-15)14-9(12)13/h8H,4-7H2,1-3H3,(H4,12,13,14)/p+1/t8-/m1/s1
InChIKeyWIKBXNYURVBXSZ-MRVPVSSYSA-O
MW243.33 g/mol
LogP-1.26
Rot. Bonds1

About diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium

diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium (PubChem CID 135979670) has the molecular formula C11H23N4O2+ and a molecular weight of 243.33 g/mol. Its IUPAC name is diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium.

Molecular Properties

Compound Namediaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium
PubChem CID135979670
Molecular FormulaC11H23N4O2+
Molecular Weight243.33 g/mol
Exact Mass243.18
IUPAC Namediaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]([NH+]=C(N)N)C1
InChIInChI=1S/C11H22N4O2/c1-11(2,3)17-10(16)15-6-4-5-8(7-15)14-9(12)13/h8H,4-7H2,1-3H3,(H4,12,13,14)/p+1/t8-/m1/s1
InChIKeyWIKBXNYURVBXSZ-MRVPVSSYSA-O
XLogP-1.26
TPSA95.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
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-BOC-3-Aminopiperidine
CID 545809
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate
CID 2756482
tert-butyl (3R)-3-aminopiperidine-1-carboxylate
CID 1501974
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
CID 1501975
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
CID 1514171
tert-butyl N-methyl-N-(piperidin-3-yl)carbamate
CID 22449166
tert-Butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 1502020
tert-Butyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 1502021
3-Aminopiperidine hydrochloride, N1-BOC protected
CID 17750334
tert-Butyl 3-(methylamino)piperidine-1-carboxylate
CID 17750458

Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium?
The IUPAC name of diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium (CID 135979670) is diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium.
What is the SMILES notation for diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium?
The canonical SMILES for diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium is CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]=C(N)N)C1.
What is the InChIKey of diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium?
The InChIKey is WIKBXNYURVBXSZ-MRVPVSSYSA-O. The full InChI is InChI=1S/C11H22N4O2/c1-11(2,3)17-10(16)15-6-4-5-8(7-15)14-9(12)13/h8H,4-7H2,1-3H3,(H4,12,13,14)/p+1/t8-/m1/s1.
What are the key properties of diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium?
diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium has a molecular weight of 243.33 g/mol, XLogP of -1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium is sourced from PubChem (CID 135979670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).