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

C20H34N2O3 — CID 145172719

IUPACtert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
SMILESC.CC(C)Oc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1N
InChIInChI=1S/C19H30N2O3.CH4/c1-13(2)23-17-12-15(6-7-16(17)20)14-8-10-21(11-9-14)18(22)24-19(3,4)5;/h6-7,12-14H,8-11,20H2,1-5H3;1H4
InChIKeyXSWJHSQFTZFGIM-UHFFFAOYSA-N
MW350.50 g/mol
LogP4.81
Rot. Bonds3

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

tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane (PubChem CID 145172719) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
PubChem CID145172719
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Nametert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
SMILESC.CC(C)Oc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1N
InChIInChI=1S/C19H30N2O3.CH4/c1-13(2)23-17-12-15(6-7-16(17)20)14-8-10-21(11-9-14)18(22)24-19(3,4)5;/h6-7,12-14H,8-11,20H2,1-5H3;1H4
InChIKeyXSWJHSQFTZFGIM-UHFFFAOYSA-N
XLogP4.81
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.81
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-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate
CID 101043182
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)-2,6-dimethylpiperidine-1-carboxylate
CID 118936164
tert-butyl 4-[4-amino-3-(methylamino)phenyl]piperidine-1-carboxylate
CID 156507897
tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate
CID 170459039
tert-butyl 4-[4-amino-3-(cyclohepten-1-yl)phenyl]piperidine-1-carboxylate
CID 58694589
tert-butyl 4-[(2-amino-5-cyclopropylphenyl)methyl]piperazine-1-carboxylate
CID 146037472
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
tert-butyl 4-[3-amino-4-(3,3-difluoropiperidin-1-yl)phenyl]piperidine-1-carboxylate
CID 169488619
tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate
CID 166536702
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane?
The IUPAC name of tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane (CID 145172719) is tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane.
What is the SMILES notation for tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane?
The canonical SMILES for tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane is C.CC(C)Oc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1N.
What is the InChIKey of tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane?
The InChIKey is XSWJHSQFTZFGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.CH4/c1-13(2)23-17-12-15(6-7-16(17)20)14-8-10-21(11-9-14)18(22)24-19(3,4)5;/h6-7,12-14H,8-11,20H2,1-5H3;1H4.
What are the key properties of tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane?
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane has a molecular weight of 350.50 g/mol, XLogP of 4.81, 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-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane is sourced from PubChem (CID 145172719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).