CID 123670309

C11H15BN2O — CID 123670309

IUPAC—
SMILES[B]c1ccc(OC2CCN(C)CC2)nc1
InChIInChI=1S/C11H15BN2O/c1-14-6-4-10(5-7-14)15-11-3-2-9(12)8-13-11/h2-3,8,10H,4-7H2,1H3
InChIKeyXCISALYYZGFPLW-UHFFFAOYSA-N
MW202.07 g/mol
LogP0.35
Rot. Bonds2

About CID 123670309

CID 123670309 (PubChem CID 123670309) has the molecular formula C11H15BN2O and a molecular weight of 202.07 g/mol.

Molecular Properties

Compound NameCID 123670309
PubChem CID123670309
Molecular FormulaC11H15BN2O
Molecular Weight202.07 g/mol
Exact Mass202.13
IUPAC Name—
SMILES[B]c1ccc(OC2CCN(C)CC2)nc1
InChIInChI=1S/C11H15BN2O/c1-14-6-4-10(5-7-14)15-11-3-2-9(12)8-13-11/h2-3,8,10H,4-7H2,1H3
InChIKeyXCISALYYZGFPLW-UHFFFAOYSA-N
XLogP0.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.07
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine
CID 89388695
3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one
CID 70846019
CID 140799111
CID 140799111
2-methyl-N-[[5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]methyl]propan-2-amine
CID 107381292
5-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 71565292
2-bromo-5-(1-methylpiperidin-4-yl)oxypyridine
CID 129202847
CID 59248881
CID 59248881
7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline
CID 67476097
2-(1-methylpiperidin-4-yl)oxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 90143591
N-[[5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]methyl]propan-2-amine
CID 107381290
N-methyl-2-(1-methylpiperidin-4-yl)oxypyridin-4-amine;dihydrochloride
CID 66688370

Frequently Asked Questions

What is the IUPAC name of CID 123670309?
The IUPAC name of CID 123670309 (CID 123670309) is not available.
What is the SMILES notation for CID 123670309?
The canonical SMILES for CID 123670309 is [B]c1ccc(OC2CCN(C)CC2)nc1.
What is the InChIKey of CID 123670309?
The InChIKey is XCISALYYZGFPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BN2O/c1-14-6-4-10(5-7-14)15-11-3-2-9(12)8-13-11/h2-3,8,10H,4-7H2,1H3.
What are the key properties of CID 123670309?
CID 123670309 has a molecular weight of 202.07 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123670309 is sourced from PubChem (CID 123670309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).