5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline

C18H24N2 — CID 170587214

IUPAC5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline
SMILESCC(C)c1ccc(CN2CCCCC2)c2ccncc12
InChIInChI=1S/C18H24N2/c1-14(2)16-7-6-15(13-20-10-4-3-5-11-20)17-8-9-19-12-18(16)17/h6-9,12,14H,3-5,10-11,13H2,1-2H3
InChIKeyFTCUQXBWZOJCJJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.34
Rot. Bonds3

About 5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline

5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline (PubChem CID 170587214) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline
PubChem CID170587214
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline
SMILESCC(C)c1ccc(CN2CCCCC2)c2ccncc12
InChIInChI=1S/C18H24N2/c1-14(2)16-7-6-15(13-20-10-4-3-5-11-20)17-8-9-19-12-18(16)17/h6-9,12,14H,3-5,10-11,13H2,1-2H3
InChIKeyFTCUQXBWZOJCJJ-UHFFFAOYSA-N
XLogP4.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline?
The IUPAC name of 5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline (CID 170587214) is 5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline is CC(C)c1ccc(CN2CCCCC2)c2ccncc12.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline?
The InChIKey is FTCUQXBWZOJCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(2)16-7-6-15(13-20-10-4-3-5-11-20)17-8-9-19-12-18(16)17/h6-9,12,14H,3-5,10-11,13H2,1-2H3.
What are the key properties of 5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline?
5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline has a molecular weight of 268.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline is sourced from PubChem (CID 170587214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).