1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride

C16H22BrCl2N3 — CID 119919750

IUPAC1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride
SMILESCNC1CCCN(Cc2cc(Br)cc3cccnc23)C1.Cl.Cl
InChIInChI=1S/C16H20BrN3.2ClH/c1-18-15-5-3-7-20(11-15)10-13-9-14(17)8-12-4-2-6-19-16(12)13;;/h2,4,6,8-9,15,18H,3,5,7,10-11H2,1H3;2*1H
InChIKeyKFGMUPDWSJPDBJ-UHFFFAOYSA-N
MW407.18 g/mol
LogP4.02
Rot. Bonds3

About 1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride

1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride (PubChem CID 119919750) has the molecular formula C16H22BrCl2N3 and a molecular weight of 407.18 g/mol. Its IUPAC name is 1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride
PubChem CID119919750
Molecular FormulaC16H22BrCl2N3
Molecular Weight407.18 g/mol
Exact Mass405.04
IUPAC Name1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride
SMILESCNC1CCCN(Cc2cc(Br)cc3cccnc23)C1.Cl.Cl
InChIInChI=1S/C16H20BrN3.2ClH/c1-18-15-5-3-7-20(11-15)10-13-9-14(17)8-12-4-2-6-19-16(12)13;;/h2,4,6,8-9,15,18H,3,5,7,10-11H2,1H3;2*1H
InChIKeyKFGMUPDWSJPDBJ-UHFFFAOYSA-N
XLogP4.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanamine
CID 63854973
N-methyl-1-(naphthalen-1-ylmethyl)piperidin-3-amine
CID 62536724
N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119918724
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55086252
1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493159
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436
N-propyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-amine
CID 81427742
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
CID 63845455
1-[(2-chlorothiophen-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837875
4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol
CID 104869408
6-bromo-8-(triazol-1-ylmethyl)quinoline
CID 91661151
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride?
The IUPAC name of 1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride (CID 119919750) is 1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride?
The canonical SMILES for 1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride is CNC1CCCN(Cc2cc(Br)cc3cccnc23)C1.Cl.Cl.
What is the InChIKey of 1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride?
The InChIKey is KFGMUPDWSJPDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3.2ClH/c1-18-15-5-3-7-20(11-15)10-13-9-14(17)8-12-4-2-6-19-16(12)13;;/h2,4,6,8-9,15,18H,3,5,7,10-11H2,1H3;2*1H.
What are the key properties of 1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride?
1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride has a molecular weight of 407.18 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride is sourced from PubChem (CID 119919750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).