2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate

C15H29N3O3 — CID 56805019

IUPAC2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C15H29N3O3/c1-14(2)13-21-15(19)18-7-5-16(6-8-18)3-4-17-9-11-20-12-10-17/h14H,3-13H2,1-2H3
InChIKeyTUKKJGSSGRMZQG-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.73
Rot. Bonds5

About 2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate

2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate (PubChem CID 56805019) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate
PubChem CID56805019
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C15H29N3O3/c1-14(2)13-21-15(19)18-7-5-16(6-8-18)3-4-17-9-11-20-12-10-17/h14H,3-13H2,1-2H3
InChIKeyTUKKJGSSGRMZQG-UHFFFAOYSA-N
XLogP0.73
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate (CID 56805019) is 2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate?
The InChIKey is TUKKJGSSGRMZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-14(2)13-21-15(19)18-7-5-16(6-8-18)3-4-17-9-11-20-12-10-17/h14H,3-13H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate?
2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate is sourced from PubChem (CID 56805019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).