tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate

C20H32N2O3 — CID 59764580

IUPACtert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate
SMILESCc1cc(N)c(OC(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H32N2O3/c1-13(2)24-18-12-16(14(3)11-17(18)21)15-7-9-22(10-8-15)19(23)25-20(4,5)6/h11-13,15H,7-10,21H2,1-6H3
InChIKeyMNUPHINLCXJKEZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.48
Rot. Bonds3

About tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate

tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate (PubChem CID 59764580) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate
PubChem CID59764580
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nametert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate
SMILESCc1cc(N)c(OC(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H32N2O3/c1-13(2)24-18-12-16(14(3)11-17(18)21)15-7-9-22(10-8-15)19(23)25-20(4,5)6/h11-13,15H,7-10,21H2,1-6H3
InChIKeyMNUPHINLCXJKEZ-UHFFFAOYSA-N
XLogP4.48
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate (CID 59764580) is tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate is Cc1cc(N)c(OC(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate?
The InChIKey is MNUPHINLCXJKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-13(2)24-18-12-16(14(3)11-17(18)21)15-7-9-22(10-8-15)19(23)25-20(4,5)6/h11-13,15H,7-10,21H2,1-6H3.
What are the key properties of tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate?
tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate has a molecular weight of 348.49 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 59764580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).