4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline

C20H28N2 — CID 173202252

IUPAC4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline
SMILESCC(C)(C)C1CCCCN1CCc1ccnc2ccccc12
InChIInChI=1S/C20H28N2/c1-20(2,3)19-10-6-7-14-22(19)15-12-16-11-13-21-18-9-5-4-8-17(16)18/h4-5,8-9,11,13,19H,6-7,10,12,14-15H2,1-3H3
InChIKeyZWMYCHFFZYAAMR-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.68
Rot. Bonds3

About 4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline

4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline (PubChem CID 173202252) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline.

Molecular Properties

Compound Name4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline
PubChem CID173202252
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline
SMILESCC(C)(C)C1CCCCN1CCc1ccnc2ccccc12
InChIInChI=1S/C20H28N2/c1-20(2,3)19-10-6-7-14-22(19)15-12-16-11-13-21-18-9-5-4-8-17(16)18/h4-5,8-9,11,13,19H,6-7,10,12,14-15H2,1-3H3
InChIKeyZWMYCHFFZYAAMR-UHFFFAOYSA-N
XLogP4.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline?
The IUPAC name of 4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline (CID 173202252) is 4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline.
What is the SMILES notation for 4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline?
The canonical SMILES for 4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline is CC(C)(C)C1CCCCN1CCc1ccnc2ccccc12.
What is the InChIKey of 4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline?
The InChIKey is ZWMYCHFFZYAAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-20(2,3)19-10-6-7-14-22(19)15-12-16-11-13-21-18-9-5-4-8-17(16)18/h4-5,8-9,11,13,19H,6-7,10,12,14-15H2,1-3H3.
What are the key properties of 4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline?
4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline has a molecular weight of 296.46 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-tert-butylpiperidin-1-yl)ethyl]quinoline is sourced from PubChem (CID 173202252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).