7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

C18H28N2 — CID 81215314

IUPAC7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CCN(c2ccc3c(c2)NCCC3)CC1
InChIInChI=1S/C18H28N2/c1-18(2,3)15-8-11-20(12-9-15)16-7-6-14-5-4-10-19-17(14)13-16/h6-7,13,15,19H,4-5,8-12H2,1-3H3
InChIKeyWKJDFYPLZPBAHA-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.31
Rot. Bonds1

About 7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81215314) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81215314
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CCN(c2ccc3c(c2)NCCC3)CC1
InChIInChI=1S/C18H28N2/c1-18(2,3)15-8-11-20(12-9-15)16-7-6-14-5-4-10-19-17(14)13-16/h6-7,13,15,19H,4-5,8-12H2,1-3H3
InChIKeyWKJDFYPLZPBAHA-UHFFFAOYSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81215314) is 7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is CC(C)(C)C1CCN(c2ccc3c(c2)NCCC3)CC1.
What is the InChIKey of 7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is WKJDFYPLZPBAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2,3)15-8-11-20(12-9-15)16-7-6-14-5-4-10-19-17(14)13-16/h6-7,13,15,19H,4-5,8-12H2,1-3H3.
What are the key properties of 7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 272.44 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81215314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).