potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide

C9H18BF3KN — CID 103503843

IUPACpotassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide
SMILESCC(C)C1CCN(C[B-](F)(F)F)CC1.[K+]
InChIInChI=1S/C9H18BF3N.K/c1-8(2)9-3-5-14(6-4-9)7-10(11,12)13;/h8-9H,3-7H2,1-2H3;/q-1;+1
InChIKeyCXKXAKBYPFALOM-UHFFFAOYSA-N
MW247.15 g/mol
LogP-0.25
Rot. Bonds3

About potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide

potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide (PubChem CID 103503843) has the molecular formula C9H18BF3KN and a molecular weight of 247.15 g/mol. Its IUPAC name is potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide
PubChem CID103503843
Molecular FormulaC9H18BF3KN
Molecular Weight247.15 g/mol
Exact Mass247.11
IUPAC Namepotassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide
SMILESCC(C)C1CCN(C[B-](F)(F)F)CC1.[K+]
InChIInChI=1S/C9H18BF3N.K/c1-8(2)9-3-5-14(6-4-9)7-10(11,12)13;/h8-9H,3-7H2,1-2H3;/q-1;+1
InChIKeyCXKXAKBYPFALOM-UHFFFAOYSA-N
XLogP-0.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide
CID 63702527
1-(iodomethyl)-4-propan-2-ylpiperidine
CID 149079788
1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine
CID 137409417
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride
CID 138659398
2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 174183157
potassium 1-methanidyl-4-propan-2-ylpiperidine
CID 176983313
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine
CID 59762113
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide (CID 103503843) is potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide is CC(C)C1CCN(C[B-](F)(F)F)CC1.[K+].
What is the InChIKey of potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide?
The InChIKey is CXKXAKBYPFALOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BF3N.K/c1-8(2)9-3-5-14(6-4-9)7-10(11,12)13;/h8-9H,3-7H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide?
potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide has a molecular weight of 247.15 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide is sourced from PubChem (CID 103503843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).