methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate

C13H25N3O2 — CID 129269320

IUPACmethyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O2/c1-14-5-3-12(4-6-14)11-15-7-9-16(10-8-15)13(17)18-2/h12H,3-11H2,1-2H3
InChIKeyLJERSHLXJBJUIK-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.71
Rot. Bonds2

About methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate

methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate (PubChem CID 129269320) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate
PubChem CID129269320
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Namemethyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O2/c1-14-5-3-12(4-6-14)11-15-7-9-16(10-8-15)13(17)18-2/h12H,3-11H2,1-2H3
InChIKeyLJERSHLXJBJUIK-UHFFFAOYSA-N
XLogP0.71
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate (CID 129269320) is methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate is COC(=O)N1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate?
The InChIKey is LJERSHLXJBJUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-14-5-3-12(4-6-14)11-15-7-9-16(10-8-15)13(17)18-2/h12H,3-11H2,1-2H3.
What are the key properties of methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate?
methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 129269320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).