1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine

C17H22BrN3 — CID 115959744

IUPAC1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(Cc2ccc(Br)c3cccnc23)CCC1N
InChIInChI=1S/C17H22BrN3/c1-2-12-10-21(9-7-16(12)19)11-13-5-6-15(18)14-4-3-8-20-17(13)14/h3-6,8,12,16H,2,7,9-11,19H2,1H3
InChIKeyDUVNEINYIALNNA-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.56
Rot. Bonds3

About 1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine

1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine (PubChem CID 115959744) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine
PubChem CID115959744
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC Name1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(Cc2ccc(Br)c3cccnc23)CCC1N
InChIInChI=1S/C17H22BrN3/c1-2-12-10-21(9-7-16(12)19)11-13-5-6-15(18)14-4-3-8-20-17(13)14/h3-6,8,12,16H,2,7,9-11,19H2,1H3
InChIKeyDUVNEINYIALNNA-UHFFFAOYSA-N
XLogP3.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 81460638
1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
CID 115959704
1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol
CID 114677852
8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
CID 43375420
2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine
CID 115960457
1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493159
N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine
CID 115959253
8-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-5-amine
CID 43585624
1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol
CID 106835491
1-[(5-bromoquinolin-8-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 75520404
1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine
CID 115741490
N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103943748

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine?
The IUPAC name of 1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine (CID 115959744) is 1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine is CCC1CN(Cc2ccc(Br)c3cccnc23)CCC1N.
What is the InChIKey of 1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine?
The InChIKey is DUVNEINYIALNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-2-12-10-21(9-7-16(12)19)11-13-5-6-15(18)14-4-3-8-20-17(13)14/h3-6,8,12,16H,2,7,9-11,19H2,1H3.
What are the key properties of 1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine?
1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine has a molecular weight of 348.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine is sourced from PubChem (CID 115959744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).