4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline

C25H36N2O — CID 141033582

IUPAC4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline
SMILESCOc1ccc2nccc(CCCC3CCN(CC4CCCCC4)CC3)c2c1
InChIInChI=1S/C25H36N2O/c1-28-23-10-11-25-24(18-23)22(12-15-26-25)9-5-8-20-13-16-27(17-14-20)19-21-6-3-2-4-7-21/h10-12,15,18,20-21H,2-9,13-14,16-17,19H2,1H3
InChIKeyXAWCLUFPUODRKT-UHFFFAOYSA-N
MW380.58 g/mol
LogP5.86
Rot. Bonds7

About 4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline

4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline (PubChem CID 141033582) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline.

Molecular Properties

Compound Name4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline
PubChem CID141033582
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline
SMILESCOc1ccc2nccc(CCCC3CCN(CC4CCCCC4)CC3)c2c1
InChIInChI=1S/C25H36N2O/c1-28-23-10-11-25-24(18-23)22(12-15-26-25)9-5-8-20-13-16-27(17-14-20)19-21-6-3-2-4-7-21/h10-12,15,18,20-21H,2-9,13-14,16-17,19H2,1H3
InChIKeyXAWCLUFPUODRKT-UHFFFAOYSA-N
XLogP5.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-4-(3-piperidin-3-ylpropyl)quinoline
CID 12799878
(3R,4R)-1-(3-cycloheptylsulfanylpropyl)-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid
CID 21346589
3-[1-(3-cyclohexylsulfanylpropyl)-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanoic acid
CID 22454390
3-[1-(2-cyclopentylsulfanylethyl)-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanoic acid
CID 22453868
3-[1-(3-cyclopentylsulfanylpropyl)-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanoic acid
CID 22453246
(3R,4R)-1-(cyclohexylmethyl)-4-[(3S)-3-fluoro-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid
CID 70174275
(3R,4R)-1-[2-(3-methoxyphenyl)sulfanylethyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid
CID 70174330
3-[(3R,4R)-1-[3-(3-methoxyphenyl)propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanoic acid
CID 70174637
3-[(3R,4R)-1-[3-(4-methoxyphenyl)propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanoic acid
CID 70172756
(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]-1-[4-(1-methylpyrrol-3-yl)butyl]piperidine-3-carboxylic acid
CID 70175142
[(3R,4R)-1-[3-(2,6-difluorophenyl)prop-2-ynyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol
CID 69354809
2-[(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]-1-[3-(2-methylphenyl)propyl]piperidin-3-yl]acetic acid
CID 70175075

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline?
The IUPAC name of 4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline (CID 141033582) is 4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline.
What is the SMILES notation for 4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline?
The canonical SMILES for 4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline is COc1ccc2nccc(CCCC3CCN(CC4CCCCC4)CC3)c2c1.
What is the InChIKey of 4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline?
The InChIKey is XAWCLUFPUODRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-28-23-10-11-25-24(18-23)22(12-15-26-25)9-5-8-20-13-16-27(17-14-20)19-21-6-3-2-4-7-21/h10-12,15,18,20-21H,2-9,13-14,16-17,19H2,1H3.
What are the key properties of 4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline?
4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline has a molecular weight of 380.58 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline is sourced from PubChem (CID 141033582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).