potassium 1-methanidyl-4-(5-methylhexyl)piperazine

C12H25KN2 — CID 155750789

IUPACpotassium 1-methanidyl-4-(5-methylhexyl)piperazine
SMILES[CH2-]N1CCN(CCCCC(C)C)CC1.[K+]
InChIInChI=1S/C12H25N2.K/c1-12(2)6-4-5-7-14-10-8-13(3)9-11-14;/h12H,3-11H2,1-2H3;/q-1;+1
InChIKeyWSCUJZXYAMHKSE-UHFFFAOYSA-N
MW236.44 g/mol
LogP-0.77
Rot. Bonds5

About potassium 1-methanidyl-4-(5-methylhexyl)piperazine

potassium 1-methanidyl-4-(5-methylhexyl)piperazine (PubChem CID 155750789) has the molecular formula C12H25KN2 and a molecular weight of 236.44 g/mol. Its IUPAC name is potassium 1-methanidyl-4-(5-methylhexyl)piperazine.

Molecular Properties

Compound Namepotassium 1-methanidyl-4-(5-methylhexyl)piperazine
PubChem CID155750789
Molecular FormulaC12H25KN2
Molecular Weight236.44 g/mol
Exact Mass236.17
IUPAC Namepotassium 1-methanidyl-4-(5-methylhexyl)piperazine
SMILES[CH2-]N1CCN(CCCCC(C)C)CC1.[K+]
InChIInChI=1S/C12H25N2.K/c1-12(2)6-4-5-7-14-10-8-13(3)9-11-14;/h12H,3-11H2,1-2H3;/q-1;+1
InChIKeyWSCUJZXYAMHKSE-UHFFFAOYSA-N
XLogP-0.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.44
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
CID 83155485
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
1-tert-butyl-4-(7-methyloctyl)piperazine
CID 138467260
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
1-(8-methylnonyl)piperazine
CID 170614920
2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
CID 83155367
1-hydroxy-4-(4-methylpentyl)piperazine
CID 59781141
1-(5-methylhexyl)-1,5-diazocane
CID 115326852
5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
CID 110923815
4-chloro-1-(4-methylpentyl)piperidine
CID 83168582
5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one
CID 171725805

Frequently Asked Questions

What is the IUPAC name of potassium 1-methanidyl-4-(5-methylhexyl)piperazine?
The IUPAC name of potassium 1-methanidyl-4-(5-methylhexyl)piperazine (CID 155750789) is potassium 1-methanidyl-4-(5-methylhexyl)piperazine.
What is the SMILES notation for potassium 1-methanidyl-4-(5-methylhexyl)piperazine?
The canonical SMILES for potassium 1-methanidyl-4-(5-methylhexyl)piperazine is [CH2-]N1CCN(CCCCC(C)C)CC1.[K+].
What is the InChIKey of potassium 1-methanidyl-4-(5-methylhexyl)piperazine?
The InChIKey is WSCUJZXYAMHKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2.K/c1-12(2)6-4-5-7-14-10-8-13(3)9-11-14;/h12H,3-11H2,1-2H3;/q-1;+1.
What are the key properties of potassium 1-methanidyl-4-(5-methylhexyl)piperazine?
potassium 1-methanidyl-4-(5-methylhexyl)piperazine has a molecular weight of 236.44 g/mol, XLogP of -0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-methanidyl-4-(5-methylhexyl)piperazine is sourced from PubChem (CID 155750789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).