tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate

C19H30N2O3 — CID 18542592

IUPACtert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate
SMILESCC(C)c1cc(N)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H30N2O3/c1-13(2)16-12-14(20)6-7-17(16)23-15-8-10-21(11-9-15)18(22)24-19(3,4)5/h6-7,12-13,15H,8-11,20H2,1-5H3
InChIKeyJMYUZRGCOLOCHT-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.17
Rot. Bonds3

About tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate

tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate (PubChem CID 18542592) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate
PubChem CID18542592
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate
SMILESCC(C)c1cc(N)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H30N2O3/c1-13(2)16-12-14(20)6-7-17(16)23-15-8-10-21(11-9-15)18(22)24-19(3,4)5/h6-7,12-13,15H,8-11,20H2,1-5H3
InChIKeyJMYUZRGCOLOCHT-UHFFFAOYSA-N
XLogP4.17
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.17
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-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683
tert-butyl (3R)-3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 171624756
tert-butyl 3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 166611410
tert-butyl 4-[4-amino-2-(4-methoxy-2-methyl-4-oxobutoxy)phenoxy]piperidine-1-carboxylate
CID 142076376
tert-butyl 4-(2-bromo-4-methylphenoxy)piperidine-1-carboxylate
CID 159393378
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
tert-butyl 4-[(2-amino-5-chloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 170715808
tert-butyl 4-(4-amino-2-fluoroanilino)piperidine-1-carboxylate
CID 68671753
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-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxynaphthalen-1-yl]piperazine-1-carboxylate
CID 130367060
tert-butyl 4-[3-[(1R)-1-hydroxyethyl]phenoxy]piperidine-1-carboxylate
CID 124636293

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate (CID 18542592) is tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate is CC(C)c1cc(N)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate?
The InChIKey is JMYUZRGCOLOCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13(2)16-12-14(20)6-7-17(16)23-15-8-10-21(11-9-15)18(22)24-19(3,4)5/h6-7,12-13,15H,8-11,20H2,1-5H3.
What are the key properties of tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate?
tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 4.17, 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-propan-2-ylphenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 18542592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).