tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate

C14H27N3O3 — CID 23079694

IUPACtert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC2CNCCO2)CC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(18)17-7-5-16(6-8-17)11-12-10-15-4-9-19-12/h12,15H,4-11H2,1-3H3
InChIKeyNVLZWGMIHNXQIH-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.53
Rot. Bonds2

About tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate

tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate (PubChem CID 23079694) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate
PubChem CID23079694
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC2CNCCO2)CC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(18)17-7-5-16(6-8-17)11-12-10-15-4-9-19-12/h12,15H,4-11H2,1-3H3
InChIKeyNVLZWGMIHNXQIH-UHFFFAOYSA-N
XLogP0.53
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate (CID 23079694) is tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC2CNCCO2)CC1.
What is the InChIKey of tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate?
The InChIKey is NVLZWGMIHNXQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)20-13(18)17-7-5-16(6-8-17)11-12-10-15-4-9-19-12/h12,15H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate?
tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 23079694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).