1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate

C13H27N3O2 — CID 515581

IUPAC1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate
SMILESCCN(CC)CC(C)OC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H27N3O2/c1-5-15(6-2)11-12(3)18-13(17)16-9-7-14(4)8-10-16/h12H,5-11H2,1-4H3
InChIKeyMVWFAJUGJWUACP-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.10
Rot. Bonds5

About 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate

1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate (PubChem CID 515581) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate
PubChem CID515581
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate
SMILESCCN(CC)CC(C)OC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H27N3O2/c1-5-15(6-2)11-12(3)18-13(17)16-9-7-14(4)8-10-16/h12H,5-11H2,1-4H3
InChIKeyMVWFAJUGJWUACP-UHFFFAOYSA-N
XLogP1.10
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester
CID 199462
Ethyl 4-(butan-2-yl)piperazine-1-carboxylate
CID 115502
Ethyl 4-butylpiperazine-1-carboxylate
CID 116092
1-Piperazinecarboxylic acid, 4-propyl-, ethyl ester, hydrochloride
CID 116098
1-Piperidinecarboxylic acid, diethylaminoethyl ester
CID 410183
1-Piperazinecarboxylic acid, 4-(2-(dimethylamino)ethyl)-, isopropyl ester, hydrochloride
CID 212374
1-Piperazinecarboxylic acid, 4-(2-(diethylamino)ethyl)-, propyl ester, hydrochloride
CID 212384
1-Piperazinecarboxylic acid, 4-(2-(diethylamino)ethyl)-, isopropyl ester, hydrochloride
CID 212386
1-Piperazinecarboxylic acid, 4-(2-(dibutylamino)ethyl)-, isopropyl ester, hydrochloride
CID 212412
1-Piperazinecarboxylic acid, 4-(3-(dimethylamino)propyl)-, ethyl ester, hydrochloride
CID 212475
Tert-butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate
CID 15491146
tert-Butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate
CID 52984109

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate (CID 515581) is 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate is CCN(CC)CC(C)OC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate?
The InChIKey is MVWFAJUGJWUACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-15(6-2)11-12(3)18-13(17)16-9-7-14(4)8-10-16/h12H,5-11H2,1-4H3.
What are the key properties of 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate?
1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate has a molecular weight of 257.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).