1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol

C17H23N3O — CID 106835491

IUPAC1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C17H23N3O/c1-12(21)13-6-9-20(10-7-13)11-14-4-5-16(18)15-3-2-8-19-17(14)15/h2-5,8,12-13,21H,6-7,9-11,18H2,1H3
InChIKeyLGNPEIOKXMYDCU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.41
Rot. Bonds3

About 1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol

1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol (PubChem CID 106835491) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol
PubChem CID106835491
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C17H23N3O/c1-12(21)13-6-9-20(10-7-13)11-14-4-5-16(18)15-3-2-8-19-17(14)15/h2-5,8,12-13,21H,6-7,9-11,18H2,1H3
InChIKeyLGNPEIOKXMYDCU-UHFFFAOYSA-N
XLogP2.41
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
CID 43375420
8-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-5-amine
CID 43585624
1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol
CID 114677852
1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 111113737
1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 106835532
8-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)quinolin-5-amine
CID 63015654
1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 80579624
1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one
CID 62490120
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
1-[1-(5-amino-7-fluoroquinolin-8-yl)pyrrolidin-3-yl]ethanol
CID 115964840
8-(propan-2-ylsulfinylmethyl)quinolin-5-amine
CID 61289256

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol (CID 106835491) is 1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2ccc(N)c3cccnc23)CC1.
What is the InChIKey of 1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol?
The InChIKey is LGNPEIOKXMYDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(21)13-6-9-20(10-7-13)11-14-4-5-16(18)15-3-2-8-19-17(14)15/h2-5,8,12-13,21H,6-7,9-11,18H2,1H3.
What are the key properties of 1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol?
1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol has a molecular weight of 285.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106835491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).