6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine

C19H22N4O — CID 122495106

IUPAC6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine
SMILESNc1ncc(-c2ccco2)c2cc(CN3CCC(N)CC3)ccc12
InChIInChI=1S/C19H22N4O/c20-14-5-7-23(8-6-14)12-13-3-4-15-16(10-13)17(11-22-19(15)21)18-2-1-9-24-18/h1-4,9-11,14H,5-8,12,20H2,(H2,21,22)
InChIKeyBUSRAHYJDHCHEZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.00
Rot. Bonds3

About 6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine

6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine (PubChem CID 122495106) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine
PubChem CID122495106
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine
SMILESNc1ncc(-c2ccco2)c2cc(CN3CCC(N)CC3)ccc12
InChIInChI=1S/C19H22N4O/c20-14-5-7-23(8-6-14)12-13-3-4-15-16(10-13)17(11-22-19(15)21)18-2-1-9-24-18/h1-4,9-11,14H,5-8,12,20H2,(H2,21,22)
InChIKeyBUSRAHYJDHCHEZ-UHFFFAOYSA-N
XLogP3.00
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine?
The IUPAC name of 6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine (CID 122495106) is 6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine.
What is the SMILES notation for 6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine?
The canonical SMILES for 6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine is Nc1ncc(-c2ccco2)c2cc(CN3CCC(N)CC3)ccc12.
What is the InChIKey of 6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine?
The InChIKey is BUSRAHYJDHCHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c20-14-5-7-23(8-6-14)12-13-3-4-15-16(10-13)17(11-22-19(15)21)18-2-1-9-24-18/h1-4,9-11,14H,5-8,12,20H2,(H2,21,22).
What are the key properties of 6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine?
6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine has a molecular weight of 322.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine is sourced from PubChem (CID 122495106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).