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

C11H23N3O2 — CID 515580

IUPAC1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate
SMILESCC(CN(C)C)OC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H23N3O2/c1-10(9-12(2)3)16-11(15)14-7-5-13(4)6-8-14/h10H,5-9H2,1-4H3
InChIKeyZKTYFJWJVMQDCN-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.32
Rot. Bonds3

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

1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate (PubChem CID 515580) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate
PubChem CID515580
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate
SMILESCC(CN(C)C)OC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H23N3O2/c1-10(9-12(2)3)16-11(15)14-7-5-13(4)6-8-14/h10H,5-9H2,1-4H3
InChIKeyZKTYFJWJVMQDCN-UHFFFAOYSA-N
XLogP0.32
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate (CID 515580) is 1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate is CC(CN(C)C)OC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate?
The InChIKey is ZKTYFJWJVMQDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(9-12(2)3)16-11(15)14-7-5-13(4)6-8-14/h10H,5-9H2,1-4H3.
What are the key properties of 1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate?
1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).