tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate

C17H26N2O2 — CID 121426164

IUPACtert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate
SMILESCc1cccc(N)c1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-12-6-5-7-14(18)15(12)13-8-10-19(11-9-13)16(20)21-17(2,3)4/h5-7,13H,8-11,18H2,1-4H3
InChIKeyGMTGRGDJIFWPHF-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.69
Rot. Bonds1

About tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate

tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate (PubChem CID 121426164) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate
PubChem CID121426164
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate
SMILESCc1cccc(N)c1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-12-6-5-7-14(18)15(12)13-8-10-19(11-9-13)16(20)21-17(2,3)4/h5-7,13H,8-11,18H2,1-4H3
InChIKeyGMTGRGDJIFWPHF-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
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 4-(2,3-difluoro-6-methylphenyl)piperidine-1-carboxylate
CID 58149940
tert-butyl (3R,4S)-4-(2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566624
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-indole-2-carboxylate
CID 129187503
tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
CID 170633547
tert-butyl 4-[(2-amino-3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 154815063
tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate
CID 143790491
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(3-amino-2-methylphenyl)piperazine-1-carboxylate
CID 114518325
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038
tert-butyl 4-(2-amino-6-fluorophenoxy)piperidine-1-carboxylate
CID 53255951

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate (CID 121426164) is tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate is Cc1cccc(N)c1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate?
The InChIKey is GMTGRGDJIFWPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-5-7-14(18)15(12)13-8-10-19(11-9-13)16(20)21-17(2,3)4/h5-7,13H,8-11,18H2,1-4H3.
What are the key properties of tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate?
tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 121426164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).