1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol

C19H26N2O2 — CID 56606919

IUPAC1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol
SMILESOCCC(CC(O)c1nccc2ccccc12)C1CCNCC1
InChIInChI=1S/C19H26N2O2/c22-12-8-16(14-5-9-20-10-6-14)13-18(23)19-17-4-2-1-3-15(17)7-11-21-19/h1-4,7,11,14,16,18,20,22-23H,5-6,8-10,12-13H2
InChIKeyUBJHGFOZGWOXOR-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.66
Rot. Bonds6

About 1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol

1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol (PubChem CID 56606919) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol.

Molecular Properties

Compound Name1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol
PubChem CID56606919
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol
SMILESOCCC(CC(O)c1nccc2ccccc12)C1CCNCC1
InChIInChI=1S/C19H26N2O2/c22-12-8-16(14-5-9-20-10-6-14)13-18(23)19-17-4-2-1-3-15(17)7-11-21-19/h1-4,7,11,14,16,18,20,22-23H,5-6,8-10,12-13H2
InChIKeyUBJHGFOZGWOXOR-UHFFFAOYSA-N
XLogP2.66
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol?
The IUPAC name of 1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol (CID 56606919) is 1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol.
What is the SMILES notation for 1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol?
The canonical SMILES for 1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol is OCCC(CC(O)c1nccc2ccccc12)C1CCNCC1.
What is the InChIKey of 1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol?
The InChIKey is UBJHGFOZGWOXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-12-8-16(14-5-9-20-10-6-14)13-18(23)19-17-4-2-1-3-15(17)7-11-21-19/h1-4,7,11,14,16,18,20,22-23H,5-6,8-10,12-13H2.
What are the key properties of 1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol?
1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol has a molecular weight of 314.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol is sourced from PubChem (CID 56606919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).