7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride

C19H26ClFN2O — CID 162313711

IUPAC7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
SMILESCC(C)CCN1CCC(Oc2cc3ccncc3cc2F)CC1.Cl
InChIInChI=1S/C19H25FN2O.ClH/c1-14(2)4-8-22-9-5-17(6-10-22)23-19-12-15-3-7-21-13-16(15)11-18(19)20;/h3,7,11-14,17H,4-6,8-10H2,1-2H3;1H
InChIKeyJJISVVKHYLQYTD-UHFFFAOYSA-N
MW352.88 g/mol
LogP4.68
Rot. Bonds5

About 7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride

7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride (PubChem CID 162313711) has the molecular formula C19H26ClFN2O and a molecular weight of 352.88 g/mol. Its IUPAC name is 7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride.

Molecular Properties

Compound Name7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
PubChem CID162313711
Molecular FormulaC19H26ClFN2O
Molecular Weight352.88 g/mol
Exact Mass352.17
IUPAC Name7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
SMILESCC(C)CCN1CCC(Oc2cc3ccncc3cc2F)CC1.Cl
InChIInChI=1S/C19H25FN2O.ClH/c1-14(2)4-8-22-9-5-17(6-10-22)23-19-12-15-3-7-21-13-16(15)11-18(19)20;/h3,7,11-14,17H,4-6,8-10H2,1-2H3;1H
InChIKeyJJISVVKHYLQYTD-UHFFFAOYSA-N
XLogP4.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.88
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride?
The IUPAC name of 7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride (CID 162313711) is 7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride.
What is the SMILES notation for 7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride?
The canonical SMILES for 7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride is CC(C)CCN1CCC(Oc2cc3ccncc3cc2F)CC1.Cl.
What is the InChIKey of 7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride?
The InChIKey is JJISVVKHYLQYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O.ClH/c1-14(2)4-8-22-9-5-17(6-10-22)23-19-12-15-3-7-21-13-16(15)11-18(19)20;/h3,7,11-14,17H,4-6,8-10H2,1-2H3;1H.
What are the key properties of 7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride?
7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride has a molecular weight of 352.88 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride is sourced from PubChem (CID 162313711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).