2-amino-1-(4-methylpiperazin-1-yl)ethanone

C7H15N3O — CID 2756500

IUPAC2-amino-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN)CC1
InChIInChI=1S/C7H15N3O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6,8H2,1H3
InChIKeyANHJTNKMQWWMDJ-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.28
Rot. Bonds1

About 2-amino-1-(4-methylpiperazin-1-yl)ethanone

2-amino-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 2756500) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-amino-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID2756500
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-amino-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN)CC1
InChIInChI=1S/C7H15N3O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6,8H2,1H3
InChIKeyANHJTNKMQWWMDJ-UHFFFAOYSA-N
XLogP-1.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(4-methylpiperazin-1-yl)ethanone (CID 2756500) is 2-amino-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN)CC1.
What is the InChIKey of 2-amino-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is ANHJTNKMQWWMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6,8H2,1H3.
What are the key properties of 2-amino-1-(4-methylpiperazin-1-yl)ethanone?
2-amino-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 157.22 g/mol, XLogP of -1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2756500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).