2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline

C16H19ClN2 — CID 63375255

IUPAC2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline
SMILESCC1CCCCN1c1cc(CCl)nc2ccccc12
InChIInChI=1S/C16H19ClN2/c1-12-6-4-5-9-19(12)16-10-13(11-17)18-15-8-3-2-7-14(15)16/h2-3,7-8,10,12H,4-6,9,11H2,1H3
InChIKeyULJWICVQZFRTPU-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.35
Rot. Bonds2

About 2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline

2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline (PubChem CID 63375255) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline
PubChem CID63375255
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline
SMILESCC1CCCCN1c1cc(CCl)nc2ccccc12
InChIInChI=1S/C16H19ClN2/c1-12-6-4-5-9-19(12)16-10-13(11-17)18-15-8-3-2-7-14(15)16/h2-3,7-8,10,12H,4-6,9,11H2,1H3
InChIKeyULJWICVQZFRTPU-UHFFFAOYSA-N
XLogP4.35
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.35
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 2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline?
The IUPAC name of 2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline (CID 63375255) is 2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline.
What is the SMILES notation for 2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline?
The canonical SMILES for 2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline is CC1CCCCN1c1cc(CCl)nc2ccccc12.
What is the InChIKey of 2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline?
The InChIKey is ULJWICVQZFRTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12-6-4-5-9-19(12)16-10-13(11-17)18-15-8-3-2-7-14(15)16/h2-3,7-8,10,12H,4-6,9,11H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline?
2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline has a molecular weight of 274.80 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline is sourced from PubChem (CID 63375255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).