1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol

C16H20BrN3O — CID 106835353

IUPAC1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2c(N)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C16H20BrN3O/c1-10(21)11-4-6-20(7-5-11)16-13-8-12(17)2-3-15(13)19-9-14(16)18/h2-3,8-11,21H,4-7,18H2,1H3
InChIKeyWROIDHCSLRPAAR-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.18
Rot. Bonds2

About 1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol

1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol (PubChem CID 106835353) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol
PubChem CID106835353
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2c(N)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C16H20BrN3O/c1-10(21)11-4-6-20(7-5-11)16-13-8-12(17)2-3-15(13)19-9-14(16)18/h2-3,8-11,21H,4-7,18H2,1H3
InChIKeyWROIDHCSLRPAAR-UHFFFAOYSA-N
XLogP3.18
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]methanol
CID 43621280
6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine
CID 63624085
6-bromo-4-pyrrolidin-1-ylquinolin-3-amine
CID 43621123
6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine
CID 63971710
6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine
CID 103530492
ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate
CID 133388780
6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine
CID 81450399
1-[1-(6-bromo-3-methylsulfonylquinolin-4-yl)piperidin-4-yl]-N,N-dimethylethanamine
CID 66715267
6-bromo-4-N-(1-cyclopropylpropan-2-yl)quinoline-3,4-diamine
CID 63988688
6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine
CID 107390554
1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol
CID 106835340
6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol (CID 106835353) is 1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol is CC(O)C1CCN(c2c(N)cnc3ccc(Br)cc23)CC1.
What is the InChIKey of 1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol?
The InChIKey is WROIDHCSLRPAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-10(21)11-4-6-20(7-5-11)16-13-8-12(17)2-3-15(13)19-9-14(16)18/h2-3,8-11,21H,4-7,18H2,1H3.
What are the key properties of 1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol?
1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol has a molecular weight of 350.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106835353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).