8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine

C17H23N3 — CID 115054301

IUPAC8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine
SMILESCc1cccc2ccnc(NCCC3CCNCC3)c12
InChIInChI=1S/C17H23N3/c1-13-3-2-4-15-8-12-20-17(16(13)15)19-11-7-14-5-9-18-10-6-14/h2-4,8,12,14,18H,5-7,9-11H2,1H3,(H,19,20)
InChIKeyNVXAVQIXHSDFOJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.34
Rot. Bonds4

About 8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine

8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine (PubChem CID 115054301) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine
PubChem CID115054301
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine
SMILESCc1cccc2ccnc(NCCC3CCNCC3)c12
InChIInChI=1S/C17H23N3/c1-13-3-2-4-15-8-12-20-17(16(13)15)19-11-7-14-5-9-18-10-6-14/h2-4,8,12,14,18H,5-7,9-11H2,1H3,(H,19,20)
InChIKeyNVXAVQIXHSDFOJ-UHFFFAOYSA-N
XLogP3.34
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine?
The IUPAC name of 8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine (CID 115054301) is 8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine.
What is the SMILES notation for 8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine?
The canonical SMILES for 8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine is Cc1cccc2ccnc(NCCC3CCNCC3)c12.
What is the InChIKey of 8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine?
The InChIKey is NVXAVQIXHSDFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-3-2-4-15-8-12-20-17(16(13)15)19-11-7-14-5-9-18-10-6-14/h2-4,8,12,14,18H,5-7,9-11H2,1H3,(H,19,20).
What are the key properties of 8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine?
8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine is sourced from PubChem (CID 115054301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).