2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C16H25BN2O2 — CID 76848408

IUPAC2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(C3CCCCN3)nc2)OC1(C)C
InChIInChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)12-8-9-14(19-11-12)13-7-5-6-10-18-13/h8-9,11,13,18H,5-7,10H2,1-4H3
InChIKeyPZNXUPIRKZYKID-UHFFFAOYSA-N
MW288.20 g/mol
LogP2.20
Rot. Bonds2

About 2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 76848408) has the molecular formula C16H25BN2O2 and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID76848408
Molecular FormulaC16H25BN2O2
Molecular Weight288.20 g/mol
Exact Mass288.20
IUPAC Name2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(C3CCCCN3)nc2)OC1(C)C
InChIInChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)12-8-9-14(19-11-12)13-7-5-6-10-18-13/h8-9,11,13,18H,5-7,10H2,1-4H3
InChIKeyPZNXUPIRKZYKID-UHFFFAOYSA-N
XLogP2.20
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3-diazinane-1-carboxylate
CID 176583084
2-cyclopropyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 176676479
3-pyrrolidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 76847918
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
4,4-dimethyl-2-[(2S)-pyrrolidin-2-yl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinazoline;methanethiol
CID 144634077
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55277524
5-ethyl-2-pyrrolidin-2-ylpyridine
CID 89167891
methyl 6-piperidin-2-ylpyridine-3-carboxylate
CID 115032044
2,3-dimethyl-6-piperidin-2-ylpyridine
CID 84662827
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine
CID 140838775
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine;hydrochloride
CID 86717372

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 76848408) is 2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2ccc(C3CCCCN3)nc2)OC1(C)C.
What is the InChIKey of 2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is PZNXUPIRKZYKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)12-8-9-14(19-11-12)13-7-5-6-10-18-13/h8-9,11,13,18H,5-7,10H2,1-4H3.
What are the key properties of 2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 288.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 76848408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).