N-methyl-2-piperazin-4-ium-1-ylethanamine

C7H18N3+ — CID 18962734

IUPACN-methyl-2-piperazin-4-ium-1-ylethanamine
SMILESCNCCN1CC[NH2+]CC1
InChIInChI=1S/C7H17N3/c1-8-2-5-10-6-3-9-4-7-10/h8-9H,2-7H2,1H3/p+1
InChIKeyHDSZRJMNBCRATE-UHFFFAOYSA-O
MW144.24 g/mol
LogP-1.92
Rot. Bonds3

About N-methyl-2-piperazin-4-ium-1-ylethanamine

N-methyl-2-piperazin-4-ium-1-ylethanamine (PubChem CID 18962734) has the molecular formula C7H18N3+ and a molecular weight of 144.24 g/mol. Its IUPAC name is N-methyl-2-piperazin-4-ium-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-piperazin-4-ium-1-ylethanamine
PubChem CID18962734
Molecular FormulaC7H18N3+
Molecular Weight144.24 g/mol
Exact Mass144.15
IUPAC NameN-methyl-2-piperazin-4-ium-1-ylethanamine
SMILESCNCCN1CC[NH2+]CC1
InChIInChI=1S/C7H17N3/c1-8-2-5-10-6-3-9-4-7-10/h8-9H,2-7H2,1H3/p+1
InChIKeyHDSZRJMNBCRATE-UHFFFAOYSA-O
XLogP-1.92
TPSA31.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-N-methylethanamine
CID 14979285
N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
CID 177193446
2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine
CID 166901369
N-methyl-2-morpholin-4-ylethanamine;molecular hydrogen
CID 143640277
1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
CID 166488609
N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine
CID 166151976
1-[2-(methylamino)ethyl]piperidine-4-carbonitrile
CID 164650482
ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 171070522
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
2-(3,3-difluoroazetidin-1-yl)-N-methylethanamine
CID 89034820
2-[1-[2-(methylamino)ethyl]piperidin-4-yl]guanidine
CID 123297716
N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine
CID 84766334

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-4-ium-1-ylethanamine?
The IUPAC name of N-methyl-2-piperazin-4-ium-1-ylethanamine (CID 18962734) is N-methyl-2-piperazin-4-ium-1-ylethanamine.
What is the SMILES notation for N-methyl-2-piperazin-4-ium-1-ylethanamine?
The canonical SMILES for N-methyl-2-piperazin-4-ium-1-ylethanamine is CNCCN1CC[NH2+]CC1.
What is the InChIKey of N-methyl-2-piperazin-4-ium-1-ylethanamine?
The InChIKey is HDSZRJMNBCRATE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17N3/c1-8-2-5-10-6-3-9-4-7-10/h8-9H,2-7H2,1H3/p+1.
What are the key properties of N-methyl-2-piperazin-4-ium-1-ylethanamine?
N-methyl-2-piperazin-4-ium-1-ylethanamine has a molecular weight of 144.24 g/mol, XLogP of -1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-4-ium-1-ylethanamine is sourced from PubChem (CID 18962734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).