tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate

C18H28N2O2 — CID 129384832

IUPACtert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(c2ccc(N)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-12-10-15(14-6-8-16(19)9-7-14)11-13(2)20(12)17(21)22-18(3,4)5/h6-9,12-13,15H,10-11,19H2,1-5H3/t12-,13-/m1/s1
InChIKeyATHDMVJLLBLTME-CHWSQXEVSA-N
MW304.43 g/mol
LogP4.16
Rot. Bonds1

About tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate

tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate (PubChem CID 129384832) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate
PubChem CID129384832
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(c2ccc(N)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-12-10-15(14-6-8-16(19)9-7-14)11-13(2)20(12)17(21)22-18(3,4)5/h6-9,12-13,15H,10-11,19H2,1-5H3/t12-,13-/m1/s1
InChIKeyATHDMVJLLBLTME-CHWSQXEVSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,4R)-4-(4-aminophenyl)-2-methylpiperidine-1-carboxylate
CID 97305072
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)-2,6-dimethylpiperidine-1-carboxylate
CID 118936164
tert-butyl 4-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate
CID 171624590
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
tert-butyl 2,4,6,8-tetramethyl-5-oxoazocane-1-carboxylate
CID 123266281
tert-butyl N-[(1R,2S)-2-(4-aminophenyl)cyclopropyl]carbamate
CID 86673140
tert-butyl (1R,5S)-3-(3-aminophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67184120
tert-butyl (1S,3R,4S)-3-(4-aminophenyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
CID 140786987
tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895164
tert-butyl (2S,4S)-4-(4-hydroxyphenyl)-2-methylpiperidine-1-carboxylate
CID 101245812
tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate
CID 59464204
tert-butyl (2R,3S)-3-amino-2-(4-aminophenyl)pyrrolidine-1-carboxylate
CID 125453489

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate (CID 129384832) is tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate is C[C@@H]1CC(c2ccc(N)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is ATHDMVJLLBLTME-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-10-15(14-6-8-16(19)9-7-14)11-13(2)20(12)17(21)22-18(3,4)5/h6-9,12-13,15H,10-11,19H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate?
tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 129384832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).