tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate

C16H25N3O4 — CID 166781673

IUPACtert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1COc1cnccc1CN
InChIInChI=1S/C16H25N3O4/c1-16(2,3)23-15(20)19-6-7-21-10-13(19)11-22-14-9-18-5-4-12(14)8-17/h4-5,9,13H,6-8,10-11,17H2,1-3H3
InChIKeySYLWHAXUDXFIGO-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.55
Rot. Bonds4

About tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate

tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate (PubChem CID 166781673) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate
PubChem CID166781673
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nametert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1COc1cnccc1CN
InChIInChI=1S/C16H25N3O4/c1-16(2,3)23-15(20)19-6-7-21-10-13(19)11-22-14-9-18-5-4-12(14)8-17/h4-5,9,13H,6-8,10-11,17H2,1-3H3
InChIKeySYLWHAXUDXFIGO-UHFFFAOYSA-N
XLogP1.55
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate (CID 166781673) is tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1COc1cnccc1CN.
What is the InChIKey of tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate?
The InChIKey is SYLWHAXUDXFIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-16(2,3)23-15(20)19-6-7-21-10-13(19)11-22-14-9-18-5-4-12(14)8-17/h4-5,9,13H,6-8,10-11,17H2,1-3H3.
What are the key properties of tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate?
tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate is sourced from PubChem (CID 166781673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).