tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate

C16H24N2O2 — CID 22049268

IUPACtert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cccc(N)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13/h4-6,11-12H,7-10,17H2,1-3H3
InChIKeyINZSWUJHGMIAJM-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.38
Rot. Bonds1

About tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate

tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate (PubChem CID 22049268) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate
PubChem CID22049268
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cccc(N)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13/h4-6,11-12H,7-10,17H2,1-3H3
InChIKeyINZSWUJHGMIAJM-UHFFFAOYSA-N
XLogP3.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.38
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-(3-aminophenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate (CID 22049268) is tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cccc(N)c2)CC1.
What is the InChIKey of tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate?
The InChIKey is INZSWUJHGMIAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13/h4-6,11-12H,7-10,17H2,1-3H3.
What are the key properties of tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate?
tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 22049268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).