7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

C17H26N2 — CID 81215017

IUPAC7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CCN(c2ccc3c(c2)NCCC3)CC1
InChIInChI=1S/C17H26N2/c1-2-4-14-8-11-19(12-9-14)16-7-6-15-5-3-10-18-17(15)13-16/h6-7,13-14,18H,2-5,8-12H2,1H3
InChIKeyMBWJFFCQANKCAU-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.06
Rot. Bonds3

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

7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81215017) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81215017
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CCN(c2ccc3c(c2)NCCC3)CC1
InChIInChI=1S/C17H26N2/c1-2-4-14-8-11-19(12-9-14)16-7-6-15-5-3-10-18-17(15)13-16/h6-7,13-14,18H,2-5,8-12H2,1H3
InChIKeyMBWJFFCQANKCAU-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81215017) is 7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is CCCC1CCN(c2ccc3c(c2)NCCC3)CC1.
What is the InChIKey of 7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is MBWJFFCQANKCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-4-14-8-11-19(12-9-14)16-7-6-15-5-3-10-18-17(15)13-16/h6-7,13-14,18H,2-5,8-12H2,1H3.
What are the key properties of 7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 258.41 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81215017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).