piperidin-3-yloxyboronic acid

C5H12BNO3 — CID 142674048

IUPACpiperidin-3-yloxyboronic acid
SMILESOB(O)OC1CCCNC1
InChIInChI=1S/C5H12BNO3/c8-6(9)10-5-2-1-3-7-4-5/h5,7-9H,1-4H2
InChIKeyDJBOCFAHSIMUKH-UHFFFAOYSA-N
MW144.97 g/mol
LogP-1.28
Rot. Bonds2

About piperidin-3-yloxyboronic acid

piperidin-3-yloxyboronic acid (PubChem CID 142674048) has the molecular formula C5H12BNO3 and a molecular weight of 144.97 g/mol. Its IUPAC name is piperidin-3-yloxyboronic acid.

Molecular Properties

Compound Namepiperidin-3-yloxyboronic acid
PubChem CID142674048
Molecular FormulaC5H12BNO3
Molecular Weight144.97 g/mol
Exact Mass145.09
IUPAC Namepiperidin-3-yloxyboronic acid
SMILESOB(O)OC1CCCNC1
InChIInChI=1S/C5H12BNO3/c8-6(9)10-5-2-1-3-7-4-5/h5,7-9H,1-4H2
InChIKeyDJBOCFAHSIMUKH-UHFFFAOYSA-N
XLogP-1.28
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.97
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
3-methoxypiperidine;hydrochloride
CID 23142000
2-piperidin-3-yloxyethanol
CID 43197065
(3S)-3-methoxypiperidine;sulfane;hydrochloride
CID 157461038
(3R)-3-[(2-methylpropan-2-yl)oxy]piperidine
CID 93493219
2-[(3S)-piperidin-3-yl]oxycyclopentan-1-ol
CID 106940503
piperidin-3-yl cyclopentanecarboxylate
CID 56829579
3-propan-2-yloxypiperidine;hydrochloride
CID 53409755
piperidin-3-yl 2-methylpropanoate
CID 53409773
2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062
piperidin-3-yl cyclobutanecarboxylate;hydrochloride
CID 53409783
(3S)-3-(2-bromoprop-2-enoxy)piperidine
CID 66247193

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yloxyboronic acid?
The IUPAC name of piperidin-3-yloxyboronic acid (CID 142674048) is piperidin-3-yloxyboronic acid.
What is the SMILES notation for piperidin-3-yloxyboronic acid?
The canonical SMILES for piperidin-3-yloxyboronic acid is OB(O)OC1CCCNC1.
What is the InChIKey of piperidin-3-yloxyboronic acid?
The InChIKey is DJBOCFAHSIMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BNO3/c8-6(9)10-5-2-1-3-7-4-5/h5,7-9H,1-4H2.
What are the key properties of piperidin-3-yloxyboronic acid?
piperidin-3-yloxyboronic acid has a molecular weight of 144.97 g/mol, XLogP of -1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yloxyboronic acid is sourced from PubChem (CID 142674048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).