tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate

C18H28N2O2 — CID 67155205

IUPACtert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate
SMILESCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1N
InChIInChI=1S/C18H28N2O2/c1-12-11-16(19)13(2)10-15(12)14-6-8-20(9-7-14)17(21)22-18(3,4)5/h10-11,14H,6-9,19H2,1-5H3
InChIKeyGFDZZHAKPXIZOT-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.00
Rot. Bonds1

About tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate

tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate (PubChem CID 67155205) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate
PubChem CID67155205
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate
SMILESCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1N
InChIInChI=1S/C18H28N2O2/c1-12-11-16(19)13(2)10-15(12)14-6-8-20(9-7-14)17(21)22-18(3,4)5/h10-11,14H,6-9,19H2,1-5H3
InChIKeyGFDZZHAKPXIZOT-UHFFFAOYSA-N
XLogP4.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate (CID 67155205) is tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate is Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1N.
What is the InChIKey of tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate?
The InChIKey is GFDZZHAKPXIZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-11-16(19)13(2)10-15(12)14-6-8-20(9-7-14)17(21)22-18(3,4)5/h10-11,14H,6-9,19H2,1-5H3.
What are the key properties of tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate?
tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-amino-2,5-dimethylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 67155205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).