methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol

C15H30B2N2O3 — CID 90947809

IUPACmethyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol
SMILESCB(O)N1CCCC(C)C1.CC1CCCNC1.O=BC#CO
InChIInChI=1S/C7H16BNO.C6H13N.C2HBO2/c1-7-4-3-5-9(6-7)8(2)10;1-6-3-2-4-7-5-6;4-2-1-3-5/h7,10H,3-6H2,1-2H3;6-7H,2-5H2,1H3;4H
InChIKeyOWOVERWOBYRRCI-UHFFFAOYSA-N
MW308.04 g/mol
LogP1.16
Rot. Bonds1

About methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol

methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol (PubChem CID 90947809) has the molecular formula C15H30B2N2O3 and a molecular weight of 308.04 g/mol. Its IUPAC name is methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol.

Molecular Properties

Compound Namemethyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol
PubChem CID90947809
Molecular FormulaC15H30B2N2O3
Molecular Weight308.04 g/mol
Exact Mass308.24
IUPAC Namemethyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol
SMILESCB(O)N1CCCC(C)C1.CC1CCCNC1.O=BC#CO
InChIInChI=1S/C7H16BNO.C6H13N.C2HBO2/c1-7-4-3-5-9(6-7)8(2)10;1-6-3-2-4-7-5-6;4-2-1-3-5/h7,10H,3-6H2,1-2H3;6-7H,2-5H2,1H3;4H
InChIKeyOWOVERWOBYRRCI-UHFFFAOYSA-N
XLogP1.16
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.04
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl-(3-methylpiperidin-1-yl)borinic acid
CID 18713308
ethane;(3S)-3-methylpiperidine
CID 144634573
ethane;3-methylpiperidine;hydrate
CID 142361877
methanamine;3-methylpiperidine
CID 178081150
(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559640
(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559639
3-methylazepane
CID 14291801
(3-methylpiperidin-1-yl)-piperazin-2-ylmethanone
CID 63102910
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
[(3S)-3-(azetidin-1-yl)piperidin-1-yl]-methylborinic acid
CID 165156573
2-cyanoguanidine;3-methylpiperidine
CID 130442393
(3S)-3-methylpiperidine;oxan-4-amine
CID 142432320

Frequently Asked Questions

What is the IUPAC name of methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol?
The IUPAC name of methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol (CID 90947809) is methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol.
What is the SMILES notation for methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol?
The canonical SMILES for methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol is CB(O)N1CCCC(C)C1.CC1CCCNC1.O=BC#CO.
What is the InChIKey of methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol?
The InChIKey is OWOVERWOBYRRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BNO.C6H13N.C2HBO2/c1-7-4-3-5-9(6-7)8(2)10;1-6-3-2-4-7-5-6;4-2-1-3-5/h7,10H,3-6H2,1-2H3;6-7H,2-5H2,1H3;4H.
What are the key properties of methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol?
methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol has a molecular weight of 308.04 g/mol, XLogP of 1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methylpiperidin-1-yl)borinic acid;3-methylpiperidine;2-oxoboranylethynol is sourced from PubChem (CID 90947809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).