2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate

C14H29N3O2 — CID 515543

IUPAC2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate
SMILESCCN(CC)CCOC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-5-15(6-2)11-12-19-14(18)17-9-7-16(8-10-17)13(3)4/h13H,5-12H2,1-4H3
InChIKeyXSUAHCGBDDNRGG-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.49
Rot. Bonds6

About 2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate

2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 515543) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID515543
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate
SMILESCCN(CC)CCOC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-5-15(6-2)11-12-19-14(18)17-9-7-16(8-10-17)13(3)4/h13H,5-12H2,1-4H3
InChIKeyXSUAHCGBDDNRGG-UHFFFAOYSA-N
XLogP1.49
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate (CID 515543) is 2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate is CCN(CC)CCOC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is XSUAHCGBDDNRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-15(6-2)11-12-19-14(18)17-9-7-16(8-10-17)13(3)4/h13H,5-12H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate?
2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 515543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).