2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol

C23H26N2O2 — CID 95215735

IUPAC2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol
SMILESOc1cccc2ccc(CN3CCC([C@@H](O)Cc4ccccc4)CC3)nc12
InChIInChI=1S/C23H26N2O2/c26-21-8-4-7-19-9-10-20(24-23(19)21)16-25-13-11-18(12-14-25)22(27)15-17-5-2-1-3-6-17/h1-10,18,22,26-27H,11-16H2/t22-/m0/s1
InChIKeyZQDOBNJWENKSMF-QFIPXVFZSA-N
MW362.47 g/mol
LogP3.76
Rot. Bonds5

About 2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol

2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol (PubChem CID 95215735) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol
PubChem CID95215735
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol
SMILESOc1cccc2ccc(CN3CCC([C@@H](O)Cc4ccccc4)CC3)nc12
InChIInChI=1S/C23H26N2O2/c26-21-8-4-7-19-9-10-20(24-23(19)21)16-25-13-11-18(12-14-25)22(27)15-17-5-2-1-3-6-17/h1-10,18,22,26-27H,11-16H2/t22-/m0/s1
InChIKeyZQDOBNJWENKSMF-QFIPXVFZSA-N
XLogP3.76
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol with MolForge

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Related Compounds

2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]benzoic acid
CID 77097741
(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol
CID 28735300
(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 95875963
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50950341
1-[1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]piperidin-4-yl]-2-phenylethanol
CID 56913721
(1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol
CID 99955881
1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol
CID 45195309
1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol
CID 45195639
(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
(2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 95221775
4-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 95888868

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol (CID 95215735) is 2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol is Oc1cccc2ccc(CN3CCC([C@@H](O)Cc4ccccc4)CC3)nc12.
What is the InChIKey of 2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol?
The InChIKey is ZQDOBNJWENKSMF-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-21-8-4-7-19-9-10-20(24-23(19)21)16-25-13-11-18(12-14-25)22(27)15-17-5-2-1-3-6-17/h1-10,18,22,26-27H,11-16H2/t22-/m0/s1.
What are the key properties of 2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol?
2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol has a molecular weight of 362.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 95215735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).