3-bromo-4-piperidin-1-ylquinoline

C14H15BrN2 — CID 817514

IUPAC3-bromo-4-piperidin-1-ylquinoline
SMILESBrc1cnc2ccccc2c1N1CCCCC1
InChIInChI=1S/C14H15BrN2/c15-12-10-16-13-7-3-2-6-11(13)14(12)17-8-4-1-5-9-17/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyYOLGBFGSUGGSMW-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.99
Rot. Bonds1

About 3-bromo-4-piperidin-1-ylquinoline

3-bromo-4-piperidin-1-ylquinoline (PubChem CID 817514) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 3-bromo-4-piperidin-1-ylquinoline.

Molecular Properties

Compound Name3-bromo-4-piperidin-1-ylquinoline
PubChem CID817514
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name3-bromo-4-piperidin-1-ylquinoline
SMILESBrc1cnc2ccccc2c1N1CCCCC1
InChIInChI=1S/C14H15BrN2/c15-12-10-16-13-7-3-2-6-11(13)14(12)17-8-4-1-5-9-17/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyYOLGBFGSUGGSMW-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-piperidin-1-ylquinoline?
The IUPAC name of 3-bromo-4-piperidin-1-ylquinoline (CID 817514) is 3-bromo-4-piperidin-1-ylquinoline.
What is the SMILES notation for 3-bromo-4-piperidin-1-ylquinoline?
The canonical SMILES for 3-bromo-4-piperidin-1-ylquinoline is Brc1cnc2ccccc2c1N1CCCCC1.
What is the InChIKey of 3-bromo-4-piperidin-1-ylquinoline?
The InChIKey is YOLGBFGSUGGSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c15-12-10-16-13-7-3-2-6-11(13)14(12)17-8-4-1-5-9-17/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 3-bromo-4-piperidin-1-ylquinoline?
3-bromo-4-piperidin-1-ylquinoline has a molecular weight of 291.19 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-piperidin-1-ylquinoline is sourced from PubChem (CID 817514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).