6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline

C16H19BrN2 — CID 80673665

IUPAC6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
SMILESBrCC1CCCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C16H19BrN2/c17-11-15-5-1-2-9-19(15)12-13-6-7-16-14(10-13)4-3-8-18-16/h3-4,6-8,10,15H,1-2,5,9,11-12H2
InChIKeyBTUSGLCMQCPZSO-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.98
Rot. Bonds3

About 6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline

6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline (PubChem CID 80673665) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
PubChem CID80673665
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
SMILESBrCC1CCCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C16H19BrN2/c17-11-15-5-1-2-9-19(15)12-13-6-7-16-14(10-13)4-3-8-18-16/h3-4,6-8,10,15H,1-2,5,9,11-12H2
InChIKeyBTUSGLCMQCPZSO-UHFFFAOYSA-N
XLogP3.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline (CID 80673665) is 6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline is BrCC1CCCCN1Cc1ccc2ncccc2c1.
What is the InChIKey of 6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline?
The InChIKey is BTUSGLCMQCPZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c17-11-15-5-1-2-9-19(15)12-13-6-7-16-14(10-13)4-3-8-18-16/h3-4,6-8,10,15H,1-2,5,9,11-12H2.
What are the key properties of 6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline?
6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline has a molecular weight of 319.25 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 80673665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).