2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate

C9H19N3O2 — CID 174749311

IUPAC2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate
SMILESCNC(=O)OCCN1CCN(C)CC1
InChIInChI=1S/C9H19N3O2/c1-10-9(13)14-8-7-12-5-3-11(2)4-6-12/h3-8H2,1-2H3,(H,10,13)
InChIKeySNZHALWSBLXIBO-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.41
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate

2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate (PubChem CID 174749311) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate
PubChem CID174749311
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate
SMILESCNC(=O)OCCN1CCN(C)CC1
InChIInChI=1S/C9H19N3O2/c1-10-9(13)14-8-7-12-5-3-11(2)4-6-12/h3-8H2,1-2H3,(H,10,13)
InChIKeySNZHALWSBLXIBO-UHFFFAOYSA-N
XLogP-0.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate?
The IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate (CID 174749311) is 2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate is CNC(=O)OCCN1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate?
The InChIKey is SNZHALWSBLXIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-10-9(13)14-8-7-12-5-3-11(2)4-6-12/h3-8H2,1-2H3,(H,10,13).
What are the key properties of 2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate?
2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate has a molecular weight of 201.27 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate is sourced from PubChem (CID 174749311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).