potassium 1-methanidyl-4-propan-2-ylpiperidine

C9H18KN — CID 176983313

IUPACpotassium 1-methanidyl-4-propan-2-ylpiperidine
SMILES[CH2-]N1CCC(C(C)C)CC1.[K+]
InChIInChI=1S/C9H18N.K/c1-8(2)9-4-6-10(3)7-5-9;/h8-9H,3-7H2,1-2H3;/q-1;+1
InChIKeyCAKHRMUBOIEFOY-UHFFFAOYSA-N
MW179.35 g/mol
LogP-0.85
Rot. Bonds1

About potassium 1-methanidyl-4-propan-2-ylpiperidine

potassium 1-methanidyl-4-propan-2-ylpiperidine (PubChem CID 176983313) has the molecular formula C9H18KN and a molecular weight of 179.35 g/mol. Its IUPAC name is potassium 1-methanidyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Namepotassium 1-methanidyl-4-propan-2-ylpiperidine
PubChem CID176983313
Molecular FormulaC9H18KN
Molecular Weight179.35 g/mol
Exact Mass179.11
IUPAC Namepotassium 1-methanidyl-4-propan-2-ylpiperidine
SMILES[CH2-]N1CCC(C(C)C)CC1.[K+]
InChIInChI=1S/C9H18N.K/c1-8(2)9-4-6-10(3)7-5-9;/h8-9H,3-7H2,1-2H3;/q-1;+1
InChIKeyCAKHRMUBOIEFOY-UHFFFAOYSA-N
XLogP-0.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.35
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 1-methanidyl-4-propan-2-ylpiperidine?
The IUPAC name of potassium 1-methanidyl-4-propan-2-ylpiperidine (CID 176983313) is potassium 1-methanidyl-4-propan-2-ylpiperidine.
What is the SMILES notation for potassium 1-methanidyl-4-propan-2-ylpiperidine?
The canonical SMILES for potassium 1-methanidyl-4-propan-2-ylpiperidine is [CH2-]N1CCC(C(C)C)CC1.[K+].
What is the InChIKey of potassium 1-methanidyl-4-propan-2-ylpiperidine?
The InChIKey is CAKHRMUBOIEFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N.K/c1-8(2)9-4-6-10(3)7-5-9;/h8-9H,3-7H2,1-2H3;/q-1;+1.
What are the key properties of potassium 1-methanidyl-4-propan-2-ylpiperidine?
potassium 1-methanidyl-4-propan-2-ylpiperidine has a molecular weight of 179.35 g/mol, XLogP of -0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-methanidyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 176983313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).