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

C18H29BN2O2 — CID 99905990

IUPAC4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCc1cc(N2CCCC[C@H]2C)ncc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H29BN2O2/c1-13-11-16(21-10-8-7-9-14(21)2)20-12-15(13)19-22-17(3,4)18(5,6)23-19/h11-12,14H,7-10H2,1-6H3/t14-/m1/s1
InChIKeyIQNAEGQGQSAJLI-CQSZACIVSA-N
MW316.25 g/mol
LogP3.07
Rot. Bonds2

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

4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 99905990) has the molecular formula C18H29BN2O2 and a molecular weight of 316.25 g/mol. Its IUPAC name is 4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID99905990
Molecular FormulaC18H29BN2O2
Molecular Weight316.25 g/mol
Exact Mass316.23
IUPAC Name4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCc1cc(N2CCCC[C@H]2C)ncc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H29BN2O2/c1-13-11-16(21-10-8-7-9-14(21)2)20-12-15(13)19-22-17(3,4)18(5,6)23-19/h11-12,14H,7-10H2,1-6H3/t14-/m1/s1
InChIKeyIQNAEGQGQSAJLI-CQSZACIVSA-N
XLogP3.07
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-methylpiperidin-1-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 99865696
2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 66521513
1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane
CID 114870444
5-methyl-2-(2-methylpiperidin-1-yl)pyridin-4-amine
CID 83265979
1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-one
CID 76845132
[(3R)-1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 99909001
6-(2-methylpiperidin-1-yl)pyridine-3,4-diamine
CID 165447697
4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 76850061
4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
CID 53410093
6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 66520649
5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine
CID 61255734
[5-chloro-2-(2-methylpiperidin-1-yl)-4-pyridinyl]methanol
CID 114920177

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 99905990) is 4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is Cc1cc(N2CCCC[C@H]2C)ncc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is IQNAEGQGQSAJLI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29BN2O2/c1-13-11-16(21-10-8-7-9-14(21)2)20-12-15(13)19-22-17(3,4)18(5,6)23-19/h11-12,14H,7-10H2,1-6H3/t14-/m1/s1.
What are the key properties of 4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 316.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 99905990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).