2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine

C18H25N3 — CID 104504380

IUPAC2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1Cc1cncc2ccccc12
InChIInChI=1S/C18H25N3/c1-19-10-9-17-7-4-5-11-21(17)14-16-13-20-12-15-6-2-3-8-18(15)16/h2-3,6,8,12-13,17,19H,4-5,7,9-11,14H2,1H3
InChIKeyFDZHGPSBSLTIQL-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.20
Rot. Bonds5

About 2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine

2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine (PubChem CID 104504380) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine
PubChem CID104504380
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1Cc1cncc2ccccc12
InChIInChI=1S/C18H25N3/c1-19-10-9-17-7-4-5-11-21(17)14-16-13-20-12-15-6-2-3-8-18(15)16/h2-3,6,8,12-13,17,19H,4-5,7,9-11,14H2,1H3
InChIKeyFDZHGPSBSLTIQL-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine (CID 104504380) is 2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine is CNCCC1CCCCN1Cc1cncc2ccccc12.
What is the InChIKey of 2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine?
The InChIKey is FDZHGPSBSLTIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-19-10-9-17-7-4-5-11-21(17)14-16-13-20-12-15-6-2-3-8-18(15)16/h2-3,6,8,12-13,17,19H,4-5,7,9-11,14H2,1H3.
What are the key properties of 2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine?
2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 104504380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).