2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate

C17H27N3O2 — CID 69132792

IUPAC2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate
SMILESCc1ccc(N)c(NC2CCN(C(=O)OCC(C)C)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-12(2)11-22-17(21)20-8-6-14(7-9-20)19-16-10-13(3)4-5-15(16)18/h4-5,10,12,14,19H,6-9,11,18H2,1-3H3
InChIKeyNZPDVVCLDBZLRP-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.25
Rot. Bonds4

About 2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate

2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate (PubChem CID 69132792) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate
PubChem CID69132792
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate
SMILESCc1ccc(N)c(NC2CCN(C(=O)OCC(C)C)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-12(2)11-22-17(21)20-8-6-14(7-9-20)19-16-10-13(3)4-5-15(16)18/h4-5,10,12,14,19H,6-9,11,18H2,1-3H3
InChIKeyNZPDVVCLDBZLRP-UHFFFAOYSA-N
XLogP3.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate
CID 68797431
2-methylpropyl 4-(5-chloro-4-methyl-2-nitroanilino)piperidine-1-carboxylate
CID 69128152
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
[(2S)-2-(dibenzylamino)propyl] 4-(2-aminoanilino)piperidine-1-carboxylate
CID 25192544
ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
CID 43780824
tert-butyl 4-(2-amino-5-cyanoanilino)piperidine-1-carboxylate
CID 118209077
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028829
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate (CID 69132792) is 2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate is Cc1ccc(N)c(NC2CCN(C(=O)OCC(C)C)CC2)c1.
What is the InChIKey of 2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate?
The InChIKey is NZPDVVCLDBZLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)11-22-17(21)20-8-6-14(7-9-20)19-16-10-13(3)4-5-15(16)18/h4-5,10,12,14,19H,6-9,11,18H2,1-3H3.
What are the key properties of 2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate?
2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate is sourced from PubChem (CID 69132792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).