8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline

C18H24N2 — CID 138572820

IUPAC8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline
SMILESCC(C)CC1CNCCC1c1cccc2ccncc12
InChIInChI=1S/C18H24N2/c1-13(2)10-15-11-19-9-7-16(15)17-5-3-4-14-6-8-20-12-18(14)17/h3-6,8,12-13,15-16,19H,7,9-11H2,1-2H3
InChIKeyKFDFIFBDJRUNMD-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.97
Rot. Bonds3

About 8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline

8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline (PubChem CID 138572820) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline.

Molecular Properties

Compound Name8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline
PubChem CID138572820
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline
SMILESCC(C)CC1CNCCC1c1cccc2ccncc12
InChIInChI=1S/C18H24N2/c1-13(2)10-15-11-19-9-7-16(15)17-5-3-4-14-6-8-20-12-18(14)17/h3-6,8,12-13,15-16,19H,7,9-11H2,1-2H3
InChIKeyKFDFIFBDJRUNMD-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline?
The IUPAC name of 8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline (CID 138572820) is 8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline.
What is the SMILES notation for 8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline?
The canonical SMILES for 8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline is CC(C)CC1CNCCC1c1cccc2ccncc12.
What is the InChIKey of 8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline?
The InChIKey is KFDFIFBDJRUNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13(2)10-15-11-19-9-7-16(15)17-5-3-4-14-6-8-20-12-18(14)17/h3-6,8,12-13,15-16,19H,7,9-11H2,1-2H3.
What are the key properties of 8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline?
8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline has a molecular weight of 268.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline is sourced from PubChem (CID 138572820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).