3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide

C10H19BF3N2- — CID 106745730

IUPAC3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCC(N(C)C)CC1)[B-](F)(F)F
InChIInChI=1S/C10H19BF3N2/c1-9(11(12,13)14)8-16-6-4-10(5-7-16)15(2)3/h10H,1,4-8H2,2-3H3/q-1
InChIKeyNBCIWNZEMLNXOI-UHFFFAOYSA-N
MW235.08 g/mol
LogP1.96
Rot. Bonds4

About 3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide

3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745730) has the molecular formula C10H19BF3N2- and a molecular weight of 235.08 g/mol. Its IUPAC name is 3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745730
Molecular FormulaC10H19BF3N2-
Molecular Weight235.08 g/mol
Exact Mass235.16
IUPAC Name3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCC(N(C)C)CC1)[B-](F)(F)F
InChIInChI=1S/C10H19BF3N2/c1-9(11(12,13)14)8-16-6-4-10(5-7-16)15(2)3/h10H,1,4-8H2,2-3H3/q-1
InChIKeyNBCIWNZEMLNXOI-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 51.96
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

trifluoro-[3-(4-methoxypiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 106745712
trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
CID 106746098
potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
CID 106746097
potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746001
potassium trifluoro-[3-(4-methyl-1,4-diazepan-1-yl)prop-1-en-2-yl]boranuide
CID 56655995
trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide
CID 106746152
1-[2-(azetidin-3-ylidene)propyl]-N,N-dimethylpiperidin-4-amine
CID 116679450
1-(cyclopropylmethyl)-N,N-dimethylpiperidin-4-amine
CID 121338360
N,N-dimethyl-1-[(2E,3Z)-6-methyl-2-prop-2-enylidenehepta-3,6-dienyl]piperidin-4-amine
CID 167082295
1-[2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enyl]-N,N-dimethylpiperidin-4-amine
CID 122431050
potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745699
1-cyclopropyl-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 63908245

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide (CID 106745730) is 3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide is C=C(CN1CCC(N(C)C)CC1)[B-](F)(F)F.
What is the InChIKey of 3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is NBCIWNZEMLNXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BF3N2/c1-9(11(12,13)14)8-16-6-4-10(5-7-16)15(2)3/h10H,1,4-8H2,2-3H3/q-1.
What are the key properties of 3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide?
3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 235.08 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).