tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate

C16H31N3O3 — CID 67055651

IUPACtert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate
SMILESCC(C)(C)OC(=O)C(C1CCNCC1)N1CCOC(CN)C1
InChIInChI=1S/C16H31N3O3/c1-16(2,3)22-15(20)14(12-4-6-18-7-5-12)19-8-9-21-13(10-17)11-19/h12-14,18H,4-11,17H2,1-3H3
InChIKeyUAVRPKUWYGWTHH-UHFFFAOYSA-N
MW313.44 g/mol
LogP0.36
Rot. Bonds4

About tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate

tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate (PubChem CID 67055651) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate
PubChem CID67055651
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Nametert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate
SMILESCC(C)(C)OC(=O)C(C1CCNCC1)N1CCOC(CN)C1
InChIInChI=1S/C16H31N3O3/c1-16(2,3)22-15(20)14(12-4-6-18-7-5-12)19-8-9-21-13(10-17)11-19/h12-14,18H,4-11,17H2,1-3H3
InChIKeyUAVRPKUWYGWTHH-UHFFFAOYSA-N
XLogP0.36
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate?
The IUPAC name of tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate (CID 67055651) is tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate.
What is the SMILES notation for tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate?
The canonical SMILES for tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate is CC(C)(C)OC(=O)C(C1CCNCC1)N1CCOC(CN)C1.
What is the InChIKey of tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate?
The InChIKey is UAVRPKUWYGWTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-16(2,3)22-15(20)14(12-4-6-18-7-5-12)19-8-9-21-13(10-17)11-19/h12-14,18H,4-11,17H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate?
tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate has a molecular weight of 313.44 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(aminomethyl)morpholin-4-yl]-2-piperidin-4-ylacetate is sourced from PubChem (CID 67055651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).