(1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol

C28H33N3O4 — CID 69373184

IUPAC(1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(Cc4ccccc4)C4=COCO4)CC3)c2c1
InChIInChI=1S/C28H33N3O4/c1-33-22-7-8-25-24(16-22)23(9-12-29-25)27(32)17-31-13-10-21(11-14-31)30-26(28-18-34-19-35-28)15-20-5-3-2-4-6-20/h2-9,12,16,18,21,26-27,30,32H,10-11,13-15,17,19H2,1H3/t26?,27-/m0/s1
InChIKeyPPQBTRGATSQKSK-GEVKEYJPSA-N
MW475.59 g/mol
LogP3.79
Rot. Bonds9

About (1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol

(1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol (PubChem CID 69373184) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is (1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
PubChem CID69373184
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name(1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(Cc4ccccc4)C4=COCO4)CC3)c2c1
InChIInChI=1S/C28H33N3O4/c1-33-22-7-8-25-24(16-22)23(9-12-29-25)27(32)17-31-13-10-21(11-14-31)30-26(28-18-34-19-35-28)15-20-5-3-2-4-6-20/h2-9,12,16,18,21,26-27,30,32H,10-11,13-15,17,19H2,1H3/t26?,27-/m0/s1
InChIKeyPPQBTRGATSQKSK-GEVKEYJPSA-N
XLogP3.79
TPSA76.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

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
2-(4-benzylpiperazin-1-yl)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44535502
(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]ethanol
CID 10184310
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
1-(6-methoxyquinolin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethylamino)piperidin-1-yl]ethanol
CID 22281705
(E)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-phenyl-2-(4-phenylphenyl)prop-2-enamide
CID 44535664
(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol
CID 20805672
3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one
CID 68565740
2-[[[1-[(2S)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]quinolin-8-ol
CID 68982536
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidine-4-carboxamide
CID 24781737

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol?
The IUPAC name of (1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol (CID 69373184) is (1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol.
What is the SMILES notation for (1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol?
The canonical SMILES for (1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol is COc1ccc2nccc([C@@H](O)CN3CCC(NC(Cc4ccccc4)C4=COCO4)CC3)c2c1.
What is the InChIKey of (1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol?
The InChIKey is PPQBTRGATSQKSK-GEVKEYJPSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-33-22-7-8-25-24(16-22)23(9-12-29-25)27(32)17-31-13-10-21(11-14-31)30-26(28-18-34-19-35-28)15-20-5-3-2-4-6-20/h2-9,12,16,18,21,26-27,30,32H,10-11,13-15,17,19H2,1H3/t26?,27-/m0/s1.
What are the key properties of (1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol?
(1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol has a molecular weight of 475.59 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol is sourced from PubChem (CID 69373184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).