1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine

C15H28BFN2O2 — CID 171114480

IUPAC1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine
SMILESCC(CN1CCC(N)CC1)=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H28BFN2O2/c1-11(10-19-8-6-12(18)7-9-19)13(17)16-20-14(2,3)15(4,5)21-16/h12H,6-10,18H2,1-5H3
InChIKeyIENQMPQMZKYXQR-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.28
Rot. Bonds3

About 1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine

1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine (PubChem CID 171114480) has the molecular formula C15H28BFN2O2 and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine
PubChem CID171114480
Molecular FormulaC15H28BFN2O2
Molecular Weight298.21 g/mol
Exact Mass298.22
IUPAC Name1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine
SMILESCC(CN1CCC(N)CC1)=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H28BFN2O2/c1-11(10-19-8-6-12(18)7-9-19)13(17)16-20-14(2,3)15(4,5)21-16/h12H,6-10,18H2,1-5H3
InChIKeyIENQMPQMZKYXQR-UHFFFAOYSA-N
XLogP2.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine?
The IUPAC name of 1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine (CID 171114480) is 1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine?
The canonical SMILES for 1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine is CC(CN1CCC(N)CC1)=C(F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine?
The InChIKey is IENQMPQMZKYXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BFN2O2/c1-11(10-19-8-6-12(18)7-9-19)13(17)16-20-14(2,3)15(4,5)21-16/h12H,6-10,18H2,1-5H3.
What are the key properties of 1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine?
1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine has a molecular weight of 298.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidin-4-amine is sourced from PubChem (CID 171114480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).