5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine

C18H19BrN2O — CID 66884912

IUPAC5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine
SMILESCC1CNCCC1=Cc1cccc(Oc2ccc(Br)cn2)c1
InChIInChI=1S/C18H19BrN2O/c1-13-11-20-8-7-15(13)9-14-3-2-4-17(10-14)22-18-6-5-16(19)12-21-18/h2-6,9-10,12-13,20H,7-8,11H2,1H3
InChIKeyZTACIBWMQXAFOL-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.65
Rot. Bonds3

About 5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine

5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine (PubChem CID 66884912) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine
PubChem CID66884912
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine
SMILESCC1CNCCC1=Cc1cccc(Oc2ccc(Br)cn2)c1
InChIInChI=1S/C18H19BrN2O/c1-13-11-20-8-7-15(13)9-14-3-2-4-17(10-14)22-18-6-5-16(19)12-21-18/h2-6,9-10,12-13,20H,7-8,11H2,1H3
InChIKeyZTACIBWMQXAFOL-UHFFFAOYSA-N
XLogP4.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine?
The IUPAC name of 5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine (CID 66884912) is 5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine.
What is the SMILES notation for 5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine?
The canonical SMILES for 5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine is CC1CNCCC1=Cc1cccc(Oc2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine?
The InChIKey is ZTACIBWMQXAFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-13-11-20-8-7-15(13)9-14-3-2-4-17(10-14)22-18-6-5-16(19)12-21-18/h2-6,9-10,12-13,20H,7-8,11H2,1H3.
What are the key properties of 5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine?
5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine has a molecular weight of 359.27 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine is sourced from PubChem (CID 66884912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).