tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate

C16H31N3O3 — CID 23079682

IUPACtert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate
SMILESCCN1CCOC(CN2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C16H31N3O3/c1-5-17-10-11-21-14(12-17)13-18-6-8-19(9-7-18)15(20)22-16(2,3)4/h14H,5-13H2,1-4H3
InChIKeyKXIUJWYWGNOYGG-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.26
Rot. Bonds3

About tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate

tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate (PubChem CID 23079682) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate
PubChem CID23079682
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Nametert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate
SMILESCCN1CCOC(CN2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C16H31N3O3/c1-5-17-10-11-21-14(12-17)13-18-6-8-19(9-7-18)15(20)22-16(2,3)4/h14H,5-13H2,1-4H3
InChIKeyKXIUJWYWGNOYGG-UHFFFAOYSA-N
XLogP1.26
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate (CID 23079682) is tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate is CCN1CCOC(CN2CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate?
The InChIKey is KXIUJWYWGNOYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-5-17-10-11-21-14(12-17)13-18-6-8-19(9-7-18)15(20)22-16(2,3)4/h14H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate?
tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate has a molecular weight of 313.44 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 23079682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).