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

C15H24BN3O3 — CID 71633895

IUPAC1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol
SMILESCC1(C)OB(c2cnc(N3CCCC(O)C3)nc2)OC1(C)C
InChIInChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)11-8-17-13(18-9-11)19-7-5-6-12(20)10-19/h8-9,12,20H,5-7,10H2,1-4H3
InChIKeyBHQIBZBHCNVTAZ-UHFFFAOYSA-N
MW305.19 g/mol
LogP0.74
Rot. Bonds2

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

1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol (PubChem CID 71633895) has the molecular formula C15H24BN3O3 and a molecular weight of 305.19 g/mol. Its IUPAC name is 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol
PubChem CID71633895
Molecular FormulaC15H24BN3O3
Molecular Weight305.19 g/mol
Exact Mass305.19
IUPAC Name1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol
SMILESCC1(C)OB(c2cnc(N3CCCC(O)C3)nc2)OC1(C)C
InChIInChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)11-8-17-13(18-9-11)19-7-5-6-12(20)10-19/h8-9,12,20H,5-7,10H2,1-4H3
InChIKeyBHQIBZBHCNVTAZ-UHFFFAOYSA-N
XLogP0.74
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)pyrimidin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol (CID 71633895) is 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol is CC1(C)OB(c2cnc(N3CCCC(O)C3)nc2)OC1(C)C.
What is the InChIKey of 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol?
The InChIKey is BHQIBZBHCNVTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)11-8-17-13(18-9-11)19-7-5-6-12(20)10-19/h8-9,12,20H,5-7,10H2,1-4H3.
What are the key properties of 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol?
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol has a molecular weight of 305.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 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)pyrimidin-2-yl]piperidin-3-ol is sourced from PubChem (CID 71633895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).