8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C16H24N2 — CID 103142180

IUPAC8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1CCN(c2cccc3c2CNCC3)CC1
InChIInChI=1S/C16H24N2/c1-2-13-7-10-18(11-8-13)16-5-3-4-14-6-9-17-12-15(14)16/h3-5,13,17H,2,6-12H2,1H3
InChIKeyPDOHVCPXMJCUKX-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.96
Rot. Bonds2

About 8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 103142180) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID103142180
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1CCN(c2cccc3c2CNCC3)CC1
InChIInChI=1S/C16H24N2/c1-2-13-7-10-18(11-8-13)16-5-3-4-14-6-9-17-12-15(14)16/h3-5,13,17H,2,6-12H2,1H3
InChIKeyPDOHVCPXMJCUKX-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 103142180) is 8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CCC1CCN(c2cccc3c2CNCC3)CC1.
What is the InChIKey of 8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PDOHVCPXMJCUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-13-7-10-18(11-8-13)16-5-3-4-14-6-9-17-12-15(14)16/h3-5,13,17H,2,6-12H2,1H3.
What are the key properties of 8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 244.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 103142180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).