trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide

C14H21BF3N2- — CID 170862731

IUPACtrifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide
SMILESCN1CCN(CCCc2ccc([B-](F)(F)F)cc2)CC1
InChIInChI=1S/C14H21BF3N2/c1-19-9-11-20(12-10-19)8-2-3-13-4-6-14(7-5-13)15(16,17)18/h4-7H,2-3,8-12H2,1H3/q-1
InChIKeyOQZCDLGFYVOWJL-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.92
Rot. Bonds5

About trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide

trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide (PubChem CID 170862731) has the molecular formula C14H21BF3N2- and a molecular weight of 285.14 g/mol. Its IUPAC name is trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide
PubChem CID170862731
Molecular FormulaC14H21BF3N2-
Molecular Weight285.14 g/mol
Exact Mass285.18
IUPAC Nametrifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide
SMILESCN1CCN(CCCc2ccc([B-](F)(F)F)cc2)CC1
InChIInChI=1S/C14H21BF3N2/c1-19-9-11-20(12-10-19)8-2-3-13-4-6-14(7-5-13)15(16,17)18/h4-7H,2-3,8-12H2,1H3/q-1
InChIKeyOQZCDLGFYVOWJL-UHFFFAOYSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-1,4-diazepane
CID 170863358
potassium trifluoro-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]boranuide
CID 82887204
4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 170862464
4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline
CID 170864082
4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline
CID 170863447
1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine
CID 170863336
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835
1-[3-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]propyl]-4-methylpiperazine
CID 170863290
2-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyrazine
CID 170863154
1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
CID 170863135
1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine
CID 170864258

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide?
The IUPAC name of trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide (CID 170862731) is trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide?
The canonical SMILES for trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide is CN1CCN(CCCc2ccc([B-](F)(F)F)cc2)CC1.
What is the InChIKey of trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide?
The InChIKey is OQZCDLGFYVOWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BF3N2/c1-19-9-11-20(12-10-19)8-2-3-13-4-6-14(7-5-13)15(16,17)18/h4-7H,2-3,8-12H2,1H3/q-1.
What are the key properties of trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide?
trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide has a molecular weight of 285.14 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide is sourced from PubChem (CID 170862731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).