1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine

C15H26BN3O2 — CID 172645380

IUPAC1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine
SMILESCn1c(B2OC(C)(C)C(C)(C)O2)cnc1N1CCCCC1
InChIInChI=1S/C15H26BN3O2/c1-14(2)15(3,4)21-16(20-14)12-11-17-13(18(12)5)19-9-7-6-8-10-19/h11H,6-10H2,1-5H3
InChIKeyARYNCRTZKZNQTM-UHFFFAOYSA-N
MW291.20 g/mol
LogP1.71
Rot. Bonds2

About 1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine

1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine (PubChem CID 172645380) has the molecular formula C15H26BN3O2 and a molecular weight of 291.20 g/mol. Its IUPAC name is 1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine
PubChem CID172645380
Molecular FormulaC15H26BN3O2
Molecular Weight291.20 g/mol
Exact Mass291.21
IUPAC Name1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine
SMILESCn1c(B2OC(C)(C)C(C)(C)O2)cnc1N1CCCCC1
InChIInChI=1S/C15H26BN3O2/c1-14(2)15(3,4)21-16(20-14)12-11-17-13(18(12)5)19-9-7-6-8-10-19/h11H,6-10H2,1-5H3
InChIKeyARYNCRTZKZNQTM-UHFFFAOYSA-N
XLogP1.71
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine?
The IUPAC name of 1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine (CID 172645380) is 1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine.
What is the SMILES notation for 1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine?
The canonical SMILES for 1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine is Cn1c(B2OC(C)(C)C(C)(C)O2)cnc1N1CCCCC1.
What is the InChIKey of 1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine?
The InChIKey is ARYNCRTZKZNQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BN3O2/c1-14(2)15(3,4)21-16(20-14)12-11-17-13(18(12)5)19-9-7-6-8-10-19/h11H,6-10H2,1-5H3.
What are the key properties of 1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine?
1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine has a molecular weight of 291.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-yl]piperidine is sourced from PubChem (CID 172645380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).