tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate

C19H30N2O3 — CID 170459039

IUPACtert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate
SMILESCC(C)Oc1cc(N)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H30N2O3/c1-13(2)23-17-11-15(10-16(20)12-17)14-6-8-21(9-7-14)18(22)24-19(3,4)5/h10-14H,6-9,20H2,1-5H3
InChIKeyTYLCEVOJEWPDNN-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.17
Rot. Bonds3

About tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate

tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate (PubChem CID 170459039) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate
PubChem CID170459039
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate
SMILESCC(C)Oc1cc(N)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H30N2O3/c1-13(2)23-17-11-15(10-16(20)12-17)14-6-8-21(9-7-14)18(22)24-19(3,4)5/h10-14H,6-9,20H2,1-5H3
InChIKeyTYLCEVOJEWPDNN-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-[3-amino-5-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylate
CID 170459041
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
CID 145172719
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
3-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 162396091
tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate
CID 154538792
tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate
CID 101043182
tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate
CID 54491063
tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate
CID 140761652
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate
CID 53426264
tert-butyl 4-[4-amino-3-(methylamino)phenyl]piperidine-1-carboxylate
CID 156507897

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate (CID 170459039) is tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate is CC(C)Oc1cc(N)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate?
The InChIKey is TYLCEVOJEWPDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13(2)23-17-11-15(10-16(20)12-17)14-6-8-21(9-7-14)18(22)24-19(3,4)5/h10-14H,6-9,20H2,1-5H3.
What are the key properties of tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate?
tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)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-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 170459039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).