potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone

C23H53KN2O2 — CID 169268303

IUPACpotassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC.CC.CC.CC(=O)C1CCN(C(C)C)CC1.CCCN(CC)CC[O-].[K+]
InChIInChI=1S/C10H19NO.C7H16NO.3C2H6.K/c1-8(2)11-6-4-10(5-7-11)9(3)12;1-3-5-8(4-2)6-7-9;3*1-2;/h8,10H,4-7H2,1-3H3;3-7H2,1-2H3;3*1-2H3;/q;-1;;;;+1
InChIKeyPLQFIBXMJKHPPS-UHFFFAOYSA-N
MW428.79 g/mol
LogP1.86
Rot. Bonds7

About potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone

potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 169268303) has the molecular formula C23H53KN2O2 and a molecular weight of 428.79 g/mol. Its IUPAC name is potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Namepotassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID169268303
Molecular FormulaC23H53KN2O2
Molecular Weight428.79 g/mol
Exact Mass428.37
IUPAC Namepotassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC.CC.CC.CC(=O)C1CCN(C(C)C)CC1.CCCN(CC)CC[O-].[K+]
InChIInChI=1S/C10H19NO.C7H16NO.3C2H6.K/c1-8(2)11-6-4-10(5-7-11)9(3)12;1-3-5-8(4-2)6-7-9;3*1-2;/h8,10H,4-7H2,1-3H3;3-7H2,1-2H3;3*1-2H3;/q;-1;;;;+1
InChIKeyPLQFIBXMJKHPPS-UHFFFAOYSA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.79
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone
CID 63846150
N-ethyl-1-propan-2-yl-N-propylpiperidin-4-amine
CID 142371504
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622
N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide
CID 167004447
2-(4-acetylpiperidin-1-yl)-N-pentan-2-ylpropanamide
CID 63845307
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide
CID 155453359
1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
CID 117238997
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
N-ethyl-2-methyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]propan-1-amine
CID 167231530

Frequently Asked Questions

What is the IUPAC name of potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone (CID 169268303) is potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone is CC.CC.CC.CC(=O)C1CCN(C(C)C)CC1.CCCN(CC)CC[O-].[K+].
What is the InChIKey of potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is PLQFIBXMJKHPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C7H16NO.3C2H6.K/c1-8(2)11-6-4-10(5-7-11)9(3)12;1-3-5-8(4-2)6-7-9;3*1-2;/h8,10H,4-7H2,1-3H3;3-7H2,1-2H3;3*1-2H3;/q;-1;;;;+1.
What are the key properties of potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone?
potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 428.79 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 169268303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).