potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide

C15H19BF3KN2O2 — CID 56655989

IUPACpotassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCN(C(=O)OCc2ccccc2)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C15H19BF3N2O2.K/c1-13(16(17,18)19)11-20-7-9-21(10-8-20)15(22)23-12-14-5-3-2-4-6-14;/h2-6H,1,7-12H2;/q-1;+1
InChIKeyKOHTUZNSIXMFLK-UHFFFAOYSA-N
MW366.23 g/mol
LogP-0.11
Rot. Bonds5

About potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide

potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 56655989) has the molecular formula C15H19BF3KN2O2 and a molecular weight of 366.23 g/mol. Its IUPAC name is potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide
PubChem CID56655989
Molecular FormulaC15H19BF3KN2O2
Molecular Weight366.23 g/mol
Exact Mass366.11
IUPAC Namepotassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCN(C(=O)OCc2ccccc2)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C15H19BF3N2O2.K/c1-13(16(17,18)19)11-20-7-9-21(10-8-20)15(22)23-12-14-5-3-2-4-6-14;/h2-6H,1,7-12H2;/q-1;+1
InChIKeyKOHTUZNSIXMFLK-UHFFFAOYSA-N
XLogP-0.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl piperazine-1-carboxylate
CID 643495
(2R,6S)-rel-Benzyl 2,6-dimethylpiperazine-1-carboxylate
CID 46884035
Benzyl 3-pyrroline-1-carboxylate
CID 643471
Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
CID 11458613
Phenylmethyl 3-amino-1-piperidinecarboxylate
CID 2756612
(S)-Benzyl 3-methylpiperazine-1-carboxylate
CID 7578289
Benzyl 4-methylidenepiperidine-1-carboxylate
CID 15519136
Benzyl cyanomethyl(4-(piperidin-1-yl)butyl)carbamate
CID 46881925
Benzyl piperidine-1-carboxylate
CID 228749
(R)-1-Cbz-3-aminopiperidine
CID 1514177
Benzyl 2-(aminomethyl)piperidine-1-carboxylate
CID 2756487
Benzyl (2S)-2-methylpiperazine-1-carboxylate
CID 40425199

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide (CID 56655989) is potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide is C=C(CN1CCN(C(=O)OCc2ccccc2)CC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is KOHTUZNSIXMFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BF3N2O2.K/c1-13(16(17,18)19)11-20-7-9-21(10-8-20)15(22)23-12-14-5-3-2-4-6-14;/h2-6H,1,7-12H2;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 366.23 g/mol, XLogP of -0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 56655989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).