2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride

C8H18ClN3O — CID 130670860

IUPAC2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride
SMILESC[C@@H]1CNC[C@H](C)N1C(=O)CN.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-6-4-10-5-7(2)11(6)8(12)3-9;/h6-7,10H,3-5,9H2,1-2H3;1H/t6-,7+;
InChIKeyQMLIJFOGRIKDNH-UKMDXRBESA-N
MW207.70 g/mol
LogP-0.42
Rot. Bonds1

About 2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride

2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride (PubChem CID 130670860) has the molecular formula C8H18ClN3O and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride
PubChem CID130670860
Molecular FormulaC8H18ClN3O
Molecular Weight207.70 g/mol
Exact Mass207.11
IUPAC Name2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride
SMILESC[C@@H]1CNC[C@H](C)N1C(=O)CN.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-6-4-10-5-7(2)11(6)8(12)3-9;/h6-7,10H,3-5,9H2,1-2H3;1H/t6-,7+;
InChIKeyQMLIJFOGRIKDNH-UKMDXRBESA-N
XLogP-0.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride (CID 130670860) is 2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride is C[C@@H]1CNC[C@H](C)N1C(=O)CN.Cl.
What is the InChIKey of 2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride?
The InChIKey is QMLIJFOGRIKDNH-UKMDXRBESA-N. The full InChI is InChI=1S/C8H17N3O.ClH/c1-6-4-10-5-7(2)11(6)8(12)3-9;/h6-7,10H,3-5,9H2,1-2H3;1H/t6-,7+;.
What are the key properties of 2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride?
2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 130670860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).