potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide

C15H22FKN2-2 — CID 176964763

IUPACpotassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide
SMILES[CH2-]CC([CH2-])N1CCN(c2ccc(F)cc2)CC1.[CH3-].[K+]
InChIInChI=1S/C14H19FN2.CH3.K/c1-3-12(2)16-8-10-17(11-9-16)14-6-4-13(15)5-7-14;;/h4-7,12H,1-3,8-11H2;1H3;/q-2;-1;+1
InChIKeyZBNDPRUPPMSLOO-UHFFFAOYSA-N
MW288.45 g/mol
LogP-0.17
Rot. Bonds3

About potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide

potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide (PubChem CID 176964763) has the molecular formula C15H22FKN2-2 and a molecular weight of 288.45 g/mol. Its IUPAC name is potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide.

Molecular Properties

Compound Namepotassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide
PubChem CID176964763
Molecular FormulaC15H22FKN2-2
Molecular Weight288.45 g/mol
Exact Mass288.14
IUPAC Namepotassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide
SMILES[CH2-]CC([CH2-])N1CCN(c2ccc(F)cc2)CC1.[CH3-].[K+]
InChIInChI=1S/C14H19FN2.CH3.K/c1-3-12(2)16-8-10-17(11-9-16)14-6-4-13(15)5-7-14;;/h4-7,12H,1-3,8-11H2;1H3;/q-2;-1;+1
InChIKeyZBNDPRUPPMSLOO-UHFFFAOYSA-N
XLogP-0.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 79414716
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 62425501
1-(4-fluorophenyl)-4-sulfanylpiperazine
CID 123797629
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid
CID 63069456
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine
CID 141151305
1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine
CID 18423146
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714

Frequently Asked Questions

What is the IUPAC name of potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide?
The IUPAC name of potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide (CID 176964763) is potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide.
What is the SMILES notation for potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide?
The canonical SMILES for potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide is [CH2-]CC([CH2-])N1CCN(c2ccc(F)cc2)CC1.[CH3-].[K+].
What is the InChIKey of potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide?
The InChIKey is ZBNDPRUPPMSLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2.CH3.K/c1-3-12(2)16-8-10-17(11-9-16)14-6-4-13(15)5-7-14;;/h4-7,12H,1-3,8-11H2;1H3;/q-2;-1;+1.
What are the key properties of potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide?
potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide has a molecular weight of 288.45 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide is sourced from PubChem (CID 176964763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).