[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride

C11H22ClN3O2 — CID 86767264

IUPAC[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride
SMILESCC(C)(C)OC(=O)N1CCCC(C(N)=[NH2+])C1.[Cl-]
InChIInChI=1S/C11H21N3O2.ClH/c1-11(2,3)16-10(15)14-6-4-5-8(7-14)9(12)13;/h8H,4-7H2,1-3H3,(H3,12,13);1H
InChIKeyHIRSVXRULPSOKB-UHFFFAOYSA-N
MW263.77 g/mol
LogP-3.25
Rot. Bonds1

About [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride

[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride (PubChem CID 86767264) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride.

Molecular Properties

Compound Name[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride
PubChem CID86767264
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC Name[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride
SMILESCC(C)(C)OC(=O)N1CCCC(C(N)=[NH2+])C1.[Cl-]
InChIInChI=1S/C11H21N3O2.ClH/c1-11(2,3)16-10(15)14-6-4-5-8(7-14)9(12)13;/h8H,4-7H2,1-3H3,(H3,12,13);1H
InChIKeyHIRSVXRULPSOKB-UHFFFAOYSA-N
XLogP-3.25
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 5-3.25
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

tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
tert-butyl (3S)-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 95566430
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986434
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide
CID 142544940
tert-butyl 3-(2-aminoacetyl)azepane-1-carboxylate
CID 83488550
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344

Frequently Asked Questions

What is the IUPAC name of [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride?
The IUPAC name of [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride (CID 86767264) is [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride.
What is the SMILES notation for [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride?
The canonical SMILES for [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride is CC(C)(C)OC(=O)N1CCCC(C(N)=[NH2+])C1.[Cl-].
What is the InChIKey of [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride?
The InChIKey is HIRSVXRULPSOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-11(2,3)16-10(15)14-6-4-5-8(7-14)9(12)13;/h8H,4-7H2,1-3H3,(H3,12,13);1H.
What are the key properties of [amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride?
[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride has a molecular weight of 263.77 g/mol, XLogP of -3.25, 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-3-yl]methylidene]azanium chloride is sourced from PubChem (CID 86767264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).