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

C11H23N4O2+ — CID 86318622

IUPACdiaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
SMILESCC(C)(C)OC(=O)N1CCC([NH+]=C(N)N)CC1
InChIInChI=1S/C11H22N4O2/c1-11(2,3)17-10(16)15-6-4-8(5-7-15)14-9(12)13/h8H,4-7H2,1-3H3,(H4,12,13,14)/p+1
InChIKeyKAKXZTXWCMNIDS-UHFFFAOYSA-O
MW243.33 g/mol
LogP-1.26
Rot. Bonds1

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

diaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium (PubChem CID 86318622) has the molecular formula C11H23N4O2+ and a molecular weight of 243.33 g/mol. Its IUPAC name is diaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium.

Molecular Properties

Compound Namediaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
PubChem CID86318622
Molecular FormulaC11H23N4O2+
Molecular Weight243.33 g/mol
Exact Mass243.18
IUPAC Namediaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
SMILESCC(C)(C)OC(=O)N1CCC([NH+]=C(N)N)CC1
InChIInChI=1S/C11H22N4O2/c1-11(2,3)17-10(16)15-6-4-8(5-7-15)14-9(12)13/h8H,4-7H2,1-3H3,(H4,12,13,14)/p+1
InChIKeyKAKXZTXWCMNIDS-UHFFFAOYSA-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

tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
tert-Butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 2769591
1,1-Dimethylethyl 4-(formylamino)-1-piperidinecarboxylate
CID 87225995
tert-Butyl 4-(ethylamino)piperidine-1-carboxylate
CID 18374730
tert-Butyl ethyl(piperidin-4-yl)carbamate
CID 18677728
tert-butyl N-methyl-N-(piperidin-4-yl)carbamate hydrochloride
CID 19369399
tert-butyl N-(1-(3-aminopropyl)piperidin-4-yl)carbamate
CID 19420460
Tert-butyl 4-(carbamoylamino)piperidine-1-carboxylate
CID 39870371
tert-butyl N-methyl-N-[2-(piperidin-2-yl)ethyl]carbamate
CID 43187181
tert-butyl N-(2-methylpropyl)-N-(piperidin-4-yl)carbamate
CID 50986567

Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium?
The IUPAC name of diaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium (CID 86318622) is diaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium.
What is the SMILES notation for diaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium?
The canonical SMILES for diaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium is CC(C)(C)OC(=O)N1CCC([NH+]=C(N)N)CC1.
What is the InChIKey of diaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium?
The InChIKey is KAKXZTXWCMNIDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N4O2/c1-11(2,3)17-10(16)15-6-4-8(5-7-15)14-9(12)13/h8H,4-7H2,1-3H3,(H4,12,13,14)/p+1.
What are the key properties of diaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium?
diaminomethylidene-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-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-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium is sourced from PubChem (CID 86318622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).