2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate

C14H29N3O2 — CID 515604

IUPAC2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate
SMILESCCN(CC)CCOC(=O)N1C[C@H](C)N(C)C[C@H]1C
InChIInChI=1S/C14H29N3O2/c1-6-16(7-2)8-9-19-14(18)17-11-12(3)15(5)10-13(17)4/h12-13H,6-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyMVYYCNTXGOCOAQ-QWHCGFSZSA-N
MW271.40 g/mol
LogP1.49
Rot. Bonds5

About 2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate

2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate (PubChem CID 515604) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate
PubChem CID515604
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate
SMILESCCN(CC)CCOC(=O)N1C[C@H](C)N(C)C[C@H]1C
InChIInChI=1S/C14H29N3O2/c1-6-16(7-2)8-9-19-14(18)17-11-12(3)15(5)10-13(17)4/h12-13H,6-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyMVYYCNTXGOCOAQ-QWHCGFSZSA-N
XLogP1.49
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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 (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate (CID 515604) is 2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate is CCN(CC)CCOC(=O)N1C[C@H](C)N(C)C[C@H]1C.
What is the InChIKey of 2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate?
The InChIKey is MVYYCNTXGOCOAQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-16(7-2)8-9-19-14(18)17-11-12(3)15(5)10-13(17)4/h12-13H,6-11H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of 2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate?
2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate is sourced from PubChem (CID 515604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).