tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate

C12H23N3O3 — CID 139387096

IUPACtert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate
SMILESCN(C=O)C1(N)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-11(2,3)18-10(17)15-7-5-12(13,6-8-15)14(4)9-16/h9H,5-8,13H2,1-4H3
InChIKeyRGERYOJQJHUZPC-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.76
Rot. Bonds2

About tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate

tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate (PubChem CID 139387096) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate
PubChem CID139387096
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nametert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate
SMILESCN(C=O)C1(N)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-11(2,3)18-10(17)15-7-5-12(13,6-8-15)14(4)9-16/h9H,5-8,13H2,1-4H3
InChIKeyRGERYOJQJHUZPC-UHFFFAOYSA-N
XLogP0.76
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride
CID 91828194
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-amino-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 86276716
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 4-formyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 130743558
tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate
CID 134818881
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid
CID 44607608
tert-butyl 4-[2-(dimethylamino)ethoxy]-4-methylpiperidine-1-carboxylate
CID 83206653
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate (CID 139387096) is tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate is CN(C=O)C1(N)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate?
The InChIKey is RGERYOJQJHUZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-11(2,3)18-10(17)15-7-5-12(13,6-8-15)14(4)9-16/h9H,5-8,13H2,1-4H3.
What are the key properties of tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate?
tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 139387096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).