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

C17H26N2O2 — CID 172675049

IUPACtert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
SMILESCc1ccc(N)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-12-5-6-15(18)14(11-12)13-7-9-19(10-8-13)16(20)21-17(2,3)4/h5-6,11,13H,7-10,18H2,1-4H3
InChIKeyQRAZUJISFDURJH-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.69
Rot. Bonds1

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

tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate (PubChem CID 172675049) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
PubChem CID172675049
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
SMILESCc1ccc(N)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-12-5-6-15(18)14(11-12)13-7-9-19(10-8-13)16(20)21-17(2,3)4/h5-6,11,13H,7-10,18H2,1-4H3
InChIKeyQRAZUJISFDURJH-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-amino-5-methylbenzoyl)amino]piperidine-1-carboxylate
CID 126455593
tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 59505000
tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate
CID 121426164
tert-butyl 4-[4-amino-3-(methylamino)phenyl]piperidine-1-carboxylate
CID 156507897
tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 90028532
tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 170307138
tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
CID 178017330
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate
CID 171109282
tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 90737093
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
tert-butyl 4-(6-methylnaphthalen-1-yl)piperidine-1-carboxylate;4-(6-methylnaphthalen-1-yl)piperidine;hydrochloride
CID 161199294

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate (CID 172675049) is tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate is Cc1ccc(N)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate?
The InChIKey is QRAZUJISFDURJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-5-6-15(18)14(11-12)13-7-9-19(10-8-13)16(20)21-17(2,3)4/h5-6,11,13H,7-10,18H2,1-4H3.
What are the key properties of tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate?
tert-butyl 4-(2-amino-5-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-5-methylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 172675049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).