tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate

C17H26N2O3 — CID 18542772

IUPACtert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
SMILESCc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1N
InChIInChI=1S/C17H26N2O3/c1-12-11-14(5-6-15(12)18)21-13-7-9-19(10-8-13)16(20)22-17(2,3)4/h5-6,11,13H,7-10,18H2,1-4H3
InChIKeyCHINKAVCYTXIDU-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.36
Rot. Bonds2

About tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate

tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate (PubChem CID 18542772) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
PubChem CID18542772
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
SMILESCc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1N
InChIInChI=1S/C17H26N2O3/c1-12-11-14(5-6-15(12)18)21-13-7-9-19(10-8-13)16(20)22-17(2,3)4/h5-6,11,13H,7-10,18H2,1-4H3
InChIKeyCHINKAVCYTXIDU-UHFFFAOYSA-N
XLogP3.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(4-bromosulfanylphenoxy)piperidine-1-carboxylate
CID 18700263
tert-butyl 3-[4-amino-3-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 166611413
tert-butyl 4-(4-chloro-3-fluorophenoxy)piperidine-1-carboxylate
CID 24902450
tert-butyl 4-(4-amino-2,3,5,6-tetradeuteriophenoxy)piperidine-1-carboxylate
CID 165111874
tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 164529973
tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]piperidine-1-carboxylate
CID 23366945
tert-butyl 4-[(5-amino-3-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 68624895
2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 10545874
tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
CID 22632413
tert-butyl 4-[4-(bromomethyl)-3-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 18700084
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl 4-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate (CID 18542772) is tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate is Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1N.
What is the InChIKey of tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate?
The InChIKey is CHINKAVCYTXIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-11-14(5-6-15(12)18)21-13-7-9-19(10-8-13)16(20)22-17(2,3)4/h5-6,11,13H,7-10,18H2,1-4H3.
What are the key properties of tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate?
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 3.36, 2 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-3-methylphenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 18542772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).