methyl N-(4-methylpiperazin-1-yl)carbamate

C7H15N3O2 — CID 4081326

IUPACmethyl N-(4-methylpiperazin-1-yl)carbamate
SMILESCOC(=O)NN1CCN(C)CC1
InChIInChI=1S/C7H15N3O2/c1-9-3-5-10(6-4-9)8-7(11)12-2/h3-6H2,1-2H3,(H,8,11)
InChIKeyLVBXREUQHFLZKE-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.50
Rot. Bonds1

About methyl N-(4-methylpiperazin-1-yl)carbamate

methyl N-(4-methylpiperazin-1-yl)carbamate (PubChem CID 4081326) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is methyl N-(4-methylpiperazin-1-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-methylpiperazin-1-yl)carbamate
PubChem CID4081326
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Namemethyl N-(4-methylpiperazin-1-yl)carbamate
SMILESCOC(=O)NN1CCN(C)CC1
InChIInChI=1S/C7H15N3O2/c1-9-3-5-10(6-4-9)8-7(11)12-2/h3-6H2,1-2H3,(H,8,11)
InChIKeyLVBXREUQHFLZKE-UHFFFAOYSA-N
XLogP-0.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methylpiperazin-1-yl)carbamate?
The IUPAC name of methyl N-(4-methylpiperazin-1-yl)carbamate (CID 4081326) is methyl N-(4-methylpiperazin-1-yl)carbamate.
What is the SMILES notation for methyl N-(4-methylpiperazin-1-yl)carbamate?
The canonical SMILES for methyl N-(4-methylpiperazin-1-yl)carbamate is COC(=O)NN1CCN(C)CC1.
What is the InChIKey of methyl N-(4-methylpiperazin-1-yl)carbamate?
The InChIKey is LVBXREUQHFLZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-9-3-5-10(6-4-9)8-7(11)12-2/h3-6H2,1-2H3,(H,8,11).
What are the key properties of methyl N-(4-methylpiperazin-1-yl)carbamate?
methyl N-(4-methylpiperazin-1-yl)carbamate has a molecular weight of 173.22 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methylpiperazin-1-yl)carbamate is sourced from PubChem (CID 4081326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).