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

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

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Related Compounds

6-(1-butylpiperidin-4-yl)oxy-7-fluoroisoquinoline;hydrochloride
CID 86252407
8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162335979
6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;2,2,2-trifluoroacetic acid
CID 162326303
7-fluoro-6-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162313915
1-[4-(7-fluoroisoquinolin-6-yl)oxy-1-phenylcyclohexyl]propan-1-amine
CID 58381032
7-methyl-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162312530
6-[1-[(5-fluoro-2-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methylisoquinoline;hydrochloride
CID 162308654
4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine
CID 145415333
(1S)-1-[4-(7-bromoisoquinolin-6-yl)oxy-1-ethylcyclohexyl]ethanamine
CID 67072949
N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 71425512
(1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine
CID 144811393
2-methyl-N-[[3-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105074819

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).