1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol

C16H25BN2O3 — CID 67283454

IUPAC1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol
SMILESCC1(C)OB(c2ccc(N3CCC(O)CC3)nc2)OC1(C)C
InChIInChI=1S/C16H25BN2O3/c1-15(2)16(3,4)22-17(21-15)12-5-6-14(18-11-12)19-9-7-13(20)8-10-19/h5-6,11,13,20H,7-10H2,1-4H3
InChIKeyCVRYQXAICIPVAN-UHFFFAOYSA-N
MW304.20 g/mol
LogP1.34
Rot. Bonds2

About 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol

1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol (PubChem CID 67283454) has the molecular formula C16H25BN2O3 and a molecular weight of 304.20 g/mol. Its IUPAC name is 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol
PubChem CID67283454
Molecular FormulaC16H25BN2O3
Molecular Weight304.20 g/mol
Exact Mass304.20
IUPAC Name1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol
SMILESCC1(C)OB(c2ccc(N3CCC(O)CC3)nc2)OC1(C)C
InChIInChI=1S/C16H25BN2O3/c1-15(2)16(3,4)22-17(21-15)12-5-6-14(18-11-12)19-9-7-13(20)8-10-19/h5-6,11,13,20H,7-10H2,1-4H3
InChIKeyCVRYQXAICIPVAN-UHFFFAOYSA-N
XLogP1.34
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 51.34
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 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol (CID 67283454) is 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol is CC1(C)OB(c2ccc(N3CCC(O)CC3)nc2)OC1(C)C.
What is the InChIKey of 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is CVRYQXAICIPVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BN2O3/c1-15(2)16(3,4)22-17(21-15)12-5-6-14(18-11-12)19-9-7-13(20)8-10-19/h5-6,11,13,20H,7-10H2,1-4H3.
What are the key properties of 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol?
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 304.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 67283454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).