2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

C16H26BN3O2 — CID 99865696

IUPAC2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
SMILESC[C@@H]1CCCCN1c1cncc(B2OC(C)(C)C(C)(C)O2)n1
InChIInChI=1S/C16H26BN3O2/c1-12-8-6-7-9-20(12)14-11-18-10-13(19-14)17-21-15(2,3)16(4,5)22-17/h10-12H,6-9H2,1-5H3/t12-/m1/s1
InChIKeyFHECLWHUOMKAEE-GFCCVEGCSA-N
MW303.21 g/mol
LogP2.15
Rot. Bonds2

About 2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (PubChem CID 99865696) has the molecular formula C16H26BN3O2 and a molecular weight of 303.21 g/mol. Its IUPAC name is 2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.

Molecular Properties

Compound Name2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
PubChem CID99865696
Molecular FormulaC16H26BN3O2
Molecular Weight303.21 g/mol
Exact Mass303.21
IUPAC Name2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
SMILESC[C@@H]1CCCCN1c1cncc(B2OC(C)(C)C(C)(C)O2)n1
InChIInChI=1S/C16H26BN3O2/c1-12-8-6-7-9-20(12)14-11-18-10-13(19-14)17-21-15(2,3)16(4,5)22-17/h10-12H,6-9H2,1-5H3/t12-/m1/s1
InChIKeyFHECLWHUOMKAEE-GFCCVEGCSA-N
XLogP2.15
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 99905990
6-(2-methylazepan-1-yl)pyrazin-2-amine
CID 80647238
2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 66521513
N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine
CID 80835332
2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66450919
2-[(3S)-3-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 99773616
3-chloro-5-(2-methylpiperidin-1-yl)pyrazine-2-carbaldehyde
CID 86648988
2-(1,3-dioxan-5-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 172645352
6-chloropyrazin-2-amine;methane;6-[2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrazin-2-amine;2-[(2S)-2-methylpyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 157464618
2-[(2-methylpropan-2-yl)oxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]pyridine
CID 142533719
5-(2-methylpiperidin-1-yl)pyridin-2-amine
CID 43188334
6-(2-methylpiperidin-1-yl)pyridine-3,4-diamine
CID 165447697

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The IUPAC name of 2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (CID 99865696) is 2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.
What is the SMILES notation for 2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The canonical SMILES for 2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is C[C@@H]1CCCCN1c1cncc(B2OC(C)(C)C(C)(C)O2)n1.
What is the InChIKey of 2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The InChIKey is FHECLWHUOMKAEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26BN3O2/c1-12-8-6-7-9-20(12)14-11-18-10-13(19-14)17-21-15(2,3)16(4,5)22-17/h10-12H,6-9H2,1-5H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine has a molecular weight of 303.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is sourced from PubChem (CID 99865696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).