tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate

C18H28N2O3 — CID 174446058

IUPACtert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate
SMILESCOc1ccccc1CC1CCN(C(=O)OC(C)(C)C)C(N)C1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-10-9-13(12-16(20)19)11-14-7-5-6-8-15(14)22-4/h5-8,13,16H,9-12,19H2,1-4H3
InChIKeyXKUDQIUXODIWKX-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.17
Rot. Bonds3

About tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate

tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate (PubChem CID 174446058) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate
PubChem CID174446058
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate
SMILESCOc1ccccc1CC1CCN(C(=O)OC(C)(C)C)C(N)C1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-10-9-13(12-16(20)19)11-14-7-5-6-8-15(14)22-4/h5-8,13,16H,9-12,19H2,1-4H3
InChIKeyXKUDQIUXODIWKX-UHFFFAOYSA-N
XLogP3.17
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate (CID 174446058) is tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate is COc1ccccc1CC1CCN(C(=O)OC(C)(C)C)C(N)C1.
What is the InChIKey of tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is XKUDQIUXODIWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-10-9-13(12-16(20)19)11-14-7-5-6-8-15(14)22-4/h5-8,13,16H,9-12,19H2,1-4H3.
What are the key properties of tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate?
tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 174446058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).