5-(3-ethylpiperidin-4-yl)isoquinoline

C16H20N2 — CID 114510663

IUPAC5-(3-ethylpiperidin-4-yl)isoquinoline
SMILESCCC1CNCCC1c1cccc2cnccc12
InChIInChI=1S/C16H20N2/c1-2-12-10-17-8-6-14(12)16-5-3-4-13-11-18-9-7-15(13)16/h3-5,7,9,11-12,14,17H,2,6,8,10H2,1H3
InChIKeyKUHWGDDDZJSRAM-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.34
Rot. Bonds2

About 5-(3-ethylpiperidin-4-yl)isoquinoline

5-(3-ethylpiperidin-4-yl)isoquinoline (PubChem CID 114510663) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-(3-ethylpiperidin-4-yl)isoquinoline.

Molecular Properties

Compound Name5-(3-ethylpiperidin-4-yl)isoquinoline
PubChem CID114510663
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name5-(3-ethylpiperidin-4-yl)isoquinoline
SMILESCCC1CNCCC1c1cccc2cnccc12
InChIInChI=1S/C16H20N2/c1-2-12-10-17-8-6-14(12)16-5-3-4-13-11-18-9-7-15(13)16/h3-5,7,9,11-12,14,17H,2,6,8,10H2,1H3
InChIKeyKUHWGDDDZJSRAM-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline
CID 138572820
5-pyrrolidin-3-ylisoquinoline
CID 82607299
(2-isoquinolin-5-ylcyclopentyl)methanamine
CID 81010560
3-ethyl-4-(2-ethylphenyl)piperidine
CID 79310603
2-isoquinolin-5-ylcyclohexan-1-amine
CID 62812316
4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine
CID 103132423
2-isoquinolin-5-yl-N-methylcyclohexan-1-amine
CID 62812477
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641
N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
CID 44594455
3-ethyl-4-phenylpiperidine
CID 56828112
4-isoquinolin-5-ylcyclohexan-1-one
CID 83262300
isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone
CID 114278955

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpiperidin-4-yl)isoquinoline?
The IUPAC name of 5-(3-ethylpiperidin-4-yl)isoquinoline (CID 114510663) is 5-(3-ethylpiperidin-4-yl)isoquinoline.
What is the SMILES notation for 5-(3-ethylpiperidin-4-yl)isoquinoline?
The canonical SMILES for 5-(3-ethylpiperidin-4-yl)isoquinoline is CCC1CNCCC1c1cccc2cnccc12.
What is the InChIKey of 5-(3-ethylpiperidin-4-yl)isoquinoline?
The InChIKey is KUHWGDDDZJSRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-12-10-17-8-6-14(12)16-5-3-4-13-11-18-9-7-15(13)16/h3-5,7,9,11-12,14,17H,2,6,8,10H2,1H3.
What are the key properties of 5-(3-ethylpiperidin-4-yl)isoquinoline?
5-(3-ethylpiperidin-4-yl)isoquinoline has a molecular weight of 240.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpiperidin-4-yl)isoquinoline is sourced from PubChem (CID 114510663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).