2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol

C23H35N3O — CID 142040527

IUPAC2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol
SMILESCCCCCCNC1CCN(CC(O)c2ccnc3ccc(C)cc23)CC1
InChIInChI=1S/C23H35N3O/c1-3-4-5-6-12-24-19-10-14-26(15-11-19)17-23(27)20-9-13-25-22-8-7-18(2)16-21(20)22/h7-9,13,16,19,23-24,27H,3-6,10-12,14-15,17H2,1-2H3
InChIKeyCNBVGIDZKDOKJQ-UHFFFAOYSA-N
MW369.55 g/mol
LogP4.21
Rot. Bonds9

About 2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol

2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol (PubChem CID 142040527) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol.

Molecular Properties

Compound Name2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol
PubChem CID142040527
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol
SMILESCCCCCCNC1CCN(CC(O)c2ccnc3ccc(C)cc23)CC1
InChIInChI=1S/C23H35N3O/c1-3-4-5-6-12-24-19-10-14-26(15-11-19)17-23(27)20-9-13-25-22-8-7-18(2)16-21(20)22/h7-9,13,16,19,23-24,27H,3-6,10-12,14-15,17H2,1-2H3
InChIKeyCNBVGIDZKDOKJQ-UHFFFAOYSA-N
XLogP4.21
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol
CID 22255916
(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol
CID 20805672
1-[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]-3-phenylpropan-2-ol
CID 44535107
(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[2-(2-nitrophenoxy)ethylamino]piperidin-1-yl]ethanol
CID 44535118
(1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 44535223
1-(6-methoxyquinolin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethylamino)piperidin-1-yl]ethanol
CID 22281705
2-[[[1-[(2S)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]quinolin-8-ol
CID 68982536
(1R)-2-[4-(1H-benzimidazol-2-ylmethylamino)piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44534836
(1R)-2-[4-[(3-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44535578
(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]ethanol
CID 10184310
4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 44535229
(1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 69373184

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol?
The IUPAC name of 2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol (CID 142040527) is 2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol.
What is the SMILES notation for 2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol?
The canonical SMILES for 2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol is CCCCCCNC1CCN(CC(O)c2ccnc3ccc(C)cc23)CC1.
What is the InChIKey of 2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol?
The InChIKey is CNBVGIDZKDOKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-3-4-5-6-12-24-19-10-14-26(15-11-19)17-23(27)20-9-13-25-22-8-7-18(2)16-21(20)22/h7-9,13,16,19,23-24,27H,3-6,10-12,14-15,17H2,1-2H3.
What are the key properties of 2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol?
2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol has a molecular weight of 369.55 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol is sourced from PubChem (CID 142040527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).