tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate

C17H26N2O2 — CID 84814848

IUPACtert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate
SMILESCc1cccc(C2CC(N)CCN2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-12-6-5-7-13(10-12)15-11-14(18)8-9-19(15)16(20)21-17(2,3)4/h5-7,10,14-15H,8-9,11,18H2,1-4H3
InChIKeyGONAXVGFXLAGAW-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.39
Rot. Bonds1

About tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate

tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate (PubChem CID 84814848) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate
PubChem CID84814848
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate
SMILESCc1cccc(C2CC(N)CCN2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-12-6-5-7-13(10-12)15-11-14(18)8-9-19(15)16(20)21-17(2,3)4/h5-7,10,14-15H,8-9,11,18H2,1-4H3
InChIKeyGONAXVGFXLAGAW-UHFFFAOYSA-N
XLogP3.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate (CID 84814848) is tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate is Cc1cccc(C2CC(N)CCN2C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate?
The InChIKey is GONAXVGFXLAGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-5-7-13(10-12)15-11-14(18)8-9-19(15)16(20)21-17(2,3)4/h5-7,10,14-15H,8-9,11,18H2,1-4H3.
What are the key properties of tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate?
tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-2-(3-methylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 84814848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).