8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride

C19H26Cl2N2O — CID 162335979

IUPAC8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
SMILESCC(C)CCN1CCC(Oc2cc(Cl)c3cnccc3c2)CC1.Cl
InChIInChI=1S/C19H25ClN2O.ClH/c1-14(2)4-8-22-9-5-16(6-10-22)23-17-11-15-3-7-21-13-18(15)19(20)12-17;/h3,7,11-14,16H,4-6,8-10H2,1-2H3;1H
InChIKeyKAKYYIBBSZLARB-UHFFFAOYSA-N
MW369.34 g/mol
LogP5.20
Rot. Bonds5

About 8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride

8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride (PubChem CID 162335979) has the molecular formula C19H26Cl2N2O and a molecular weight of 369.34 g/mol. Its IUPAC name is 8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride.

Molecular Properties

Compound Name8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
PubChem CID162335979
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.34 g/mol
Exact Mass368.14
IUPAC Name8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
SMILESCC(C)CCN1CCC(Oc2cc(Cl)c3cnccc3c2)CC1.Cl
InChIInChI=1S/C19H25ClN2O.ClH/c1-14(2)4-8-22-9-5-16(6-10-22)23-17-11-15-3-7-21-13-18(15)19(20)12-17;/h3,7,11-14,16H,4-6,8-10H2,1-2H3;1H
InChIKeyKAKYYIBBSZLARB-UHFFFAOYSA-N
XLogP5.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.34
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162340373
7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162313711
6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;2,2,2-trifluoroacetic acid
CID 162326303
6-(1-butylpiperidin-4-yl)oxy-7-fluoroisoquinoline;hydrochloride
CID 86252407
N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 71425512
6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 123840256
1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075062
N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine
CID 103936581
2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride
CID 87826645
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
N-[3-chloro-4-[1-(3-methylbutyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 44526579
7-methyl-6-[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162312530

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride?
The IUPAC name of 8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride (CID 162335979) is 8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride.
What is the SMILES notation for 8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride?
The canonical SMILES for 8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride is CC(C)CCN1CCC(Oc2cc(Cl)c3cnccc3c2)CC1.Cl.
What is the InChIKey of 8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride?
The InChIKey is KAKYYIBBSZLARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O.ClH/c1-14(2)4-8-22-9-5-16(6-10-22)23-17-11-15-3-7-21-13-18(15)19(20)12-17;/h3,7,11-14,16H,4-6,8-10H2,1-2H3;1H.
What are the key properties of 8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride?
8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride has a molecular weight of 369.34 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride is sourced from PubChem (CID 162335979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).