N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C16H26BN3O2 — CID 44755169

IUPACN-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(NN3CCCCC3)nc2)OC1(C)C
InChIInChI=1S/C16H26BN3O2/c1-15(2)16(3,4)22-17(21-15)13-8-9-14(18-12-13)19-20-10-6-5-7-11-20/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,19)
InChIKeyZKCANNIBKDXFNZ-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.19
Rot. Bonds3

About N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 44755169) has the molecular formula C16H26BN3O2 and a molecular weight of 303.21 g/mol. Its IUPAC name is N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID44755169
Molecular FormulaC16H26BN3O2
Molecular Weight303.21 g/mol
Exact Mass303.21
IUPAC NameN-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(NN3CCCCC3)nc2)OC1(C)C
InChIInChI=1S/C16H26BN3O2/c1-15(2)16(3,4)22-17(21-15)13-8-9-14(18-12-13)19-20-10-6-5-7-11-20/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,19)
InChIKeyZKCANNIBKDXFNZ-UHFFFAOYSA-N
XLogP2.19
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
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 N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 44755169) is N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(NN3CCCCC3)nc2)OC1(C)C.
What is the InChIKey of N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is ZKCANNIBKDXFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BN3O2/c1-15(2)16(3,4)22-17(21-15)13-8-9-14(18-12-13)19-20-10-6-5-7-11-20/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,19).
What are the key properties of N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 303.21 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 44755169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).