6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride

C14H17ClN2O2 — CID 42635918

IUPAC6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride
SMILESCl.O=c1[nH]ccc2cc(OC3CCNCC3)ccc12
InChIInChI=1S/C14H16N2O2.ClH/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11;/h1-3,8-9,11,15H,4-7H2,(H,16,17);1H
InChIKeyKMNVOGVCCZNVNU-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.08
Rot. Bonds2

About 6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride

6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride (PubChem CID 42635918) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride.

Molecular Properties

Compound Name6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride
PubChem CID42635918
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride
SMILESCl.O=c1[nH]ccc2cc(OC3CCNCC3)ccc12
InChIInChI=1S/C14H16N2O2.ClH/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11;/h1-3,8-9,11,15H,4-7H2,(H,16,17);1H
InChIKeyKMNVOGVCCZNVNU-UHFFFAOYSA-N
XLogP2.08
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride?
The IUPAC name of 6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride (CID 42635918) is 6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride.
What is the SMILES notation for 6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride?
The canonical SMILES for 6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride is Cl.O=c1[nH]ccc2cc(OC3CCNCC3)ccc12.
What is the InChIKey of 6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride?
The InChIKey is KMNVOGVCCZNVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.ClH/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11;/h1-3,8-9,11,15H,4-7H2,(H,16,17);1H.
What are the key properties of 6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride?
6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride has a molecular weight of 280.75 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride is sourced from PubChem (CID 42635918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).