2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol

C24H37N3O2 — CID 22255916

IUPAC2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol
SMILESCCCCCCCN1CCC(NCC(O)c2ccnc3ccc(OC)cc23)CC1
InChIInChI=1S/C24H37N3O2/c1-3-4-5-6-7-14-27-15-11-19(12-16-27)26-18-24(28)21-10-13-25-23-9-8-20(29-2)17-22(21)23/h8-10,13,17,19,24,26,28H,3-7,11-12,14-16,18H2,1-2H3
InChIKeyHGFIWFRQDHWRLH-UHFFFAOYSA-N
MW399.58 g/mol
LogP4.30
Rot. Bonds11

About 2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol

2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol (PubChem CID 22255916) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol.

Molecular Properties

Compound Name2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol
PubChem CID22255916
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol
SMILESCCCCCCCN1CCC(NCC(O)c2ccnc3ccc(OC)cc23)CC1
InChIInChI=1S/C24H37N3O2/c1-3-4-5-6-7-14-27-15-11-19(12-16-27)26-18-24(28)21-10-13-25-23-9-8-20(29-2)17-22(21)23/h8-10,13,17,19,24,26,28H,3-7,11-12,14-16,18H2,1-2H3
InChIKeyHGFIWFRQDHWRLH-UHFFFAOYSA-N
XLogP4.30
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol
CID 20805672
(3S,4R)-1-heptyl-4-[[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]amino]piperidine-3-carboxylic acid;tris(2,2,2-trifluoroacetic acid)
CID 173255851
methyl 2-[4-heptyl-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-2-yl]acetate
CID 22386513
2-[(3R,4R)-1-heptyl-4-[(3R)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetonitrile
CID 57230362
1-[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]-3-phenylpropan-2-ol
CID 44535107
2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol
CID 142040527
(2R,3R,4R)-4-(heptylamino)-2-[(2S)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidine-3-carboxamide
CID 70132510
1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol
CID 22386516
(1R)-2-[4-(1H-benzimidazol-2-ylmethylamino)piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44534836
(1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 44535223
(3R,4R)-1-(2-butylsulfanylethyl)-4-[(3S)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid
CID 70176948
1-(6-methoxyquinolin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethylamino)piperidin-1-yl]ethanol
CID 22281705

Frequently Asked Questions

What is the IUPAC name of 2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol?
The IUPAC name of 2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol (CID 22255916) is 2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol.
What is the SMILES notation for 2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol?
The canonical SMILES for 2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol is CCCCCCCN1CCC(NCC(O)c2ccnc3ccc(OC)cc23)CC1.
What is the InChIKey of 2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol?
The InChIKey is HGFIWFRQDHWRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-3-4-5-6-7-14-27-15-11-19(12-16-27)26-18-24(28)21-10-13-25-23-9-8-20(29-2)17-22(21)23/h8-10,13,17,19,24,26,28H,3-7,11-12,14-16,18H2,1-2H3.
What are the key properties of 2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol?
2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol has a molecular weight of 399.58 g/mol, XLogP of 4.30, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol is sourced from PubChem (CID 22255916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).