N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine

C17H28BN3O2 — CID 163404755

IUPACN-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine
SMILESCNC1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)nc2)CC1
InChIInChI=1S/C17H28BN3O2/c1-16(2)17(3,4)23-18(22-16)15-7-6-14(12-20-15)21-10-8-13(19-5)9-11-21/h6-7,12-13,19H,8-11H2,1-5H3
InChIKeyTYOQQPNYSYRESB-UHFFFAOYSA-N
MW317.24 g/mol
LogP1.57
Rot. Bonds3

About N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine

N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine (PubChem CID 163404755) has the molecular formula C17H28BN3O2 and a molecular weight of 317.24 g/mol. Its IUPAC name is N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine
PubChem CID163404755
Molecular FormulaC17H28BN3O2
Molecular Weight317.24 g/mol
Exact Mass317.23
IUPAC NameN-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine
SMILESCNC1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)nc2)CC1
InChIInChI=1S/C17H28BN3O2/c1-16(2)17(3,4)23-18(22-16)15-7-6-14(12-20-15)21-10-8-13(19-5)9-11-21/h6-7,12-13,19H,8-11H2,1-5H3
InChIKeyTYOQQPNYSYRESB-UHFFFAOYSA-N
XLogP1.57
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylpyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 66521391
1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 53398492
(3R)-3-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
CID 89449024
5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 42614613
5-(4-methylpiperazin-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 150705145
1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid
CID 144878454
N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide
CID 71629056
ethane;4-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
CID 144637519
CID 68548487
CID 68548487
2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 175548647
[2-methyl-3-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazin-4-yl]-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]azanide
CID 163796008
2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 75201253

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine (CID 163404755) is N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine is CNC1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)nc2)CC1.
What is the InChIKey of N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine?
The InChIKey is TYOQQPNYSYRESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BN3O2/c1-16(2)17(3,4)23-18(22-16)15-7-6-14(12-20-15)21-10-8-13(19-5)9-11-21/h6-7,12-13,19H,8-11H2,1-5H3.
What are the key properties of N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine?
N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine has a molecular weight of 317.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 163404755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).