1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol

C23H26N2O3 — CID 70242446

IUPAC1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol
SMILESO[C@H](CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccccc1
InChIInChI=1S/C23H26N2O3/c26-22(28-20-7-2-1-3-8-20)10-13-25-14-11-23(27,12-15-25)19-16-18-6-4-5-9-21(18)24-17-19/h1-9,16-17,22,26-27H,10-15H2/t22-/m0/s1
InChIKeyMDZHDEXXFPACNA-QFIPXVFZSA-N
MW378.47 g/mol
LogP3.31
Rot. Bonds6

About 1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol

1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol (PubChem CID 70242446) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol
PubChem CID70242446
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol
SMILESO[C@H](CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccccc1
InChIInChI=1S/C23H26N2O3/c26-22(28-20-7-2-1-3-8-20)10-13-25-14-11-23(27,12-15-25)19-16-18-6-4-5-9-21(18)24-17-19/h1-9,16-17,22,26-27H,10-15H2/t22-/m0/s1
InChIKeyMDZHDEXXFPACNA-QFIPXVFZSA-N
XLogP3.31
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
CID 56981117
1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 57168911
1-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70242410
1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70237669
1-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70240604
1-[4-[(2S)-2-hydroxy-3-(4-hydroxy-4-quinolin-3-ylpiperidin-1-yl)propoxy]-3-methylphenyl]ethanone
CID 70240099
[2-[3-hydroxy-3-(4-hydroxy-4-quinolin-3-ylpiperidin-1-yl)propoxy]-5-methylphenyl]-phenylmethanone
CID 21198021
1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64754292
3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol
CID 103564190
1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol
CID 23294468
1-[3-hydroxy-3-(1H-indol-4-yloxy)propyl]-4-isoquinolin-4-ylpiperidin-4-ol
CID 70240824
9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956245

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol (CID 70242446) is 1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol is O[C@H](CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccccc1.
What is the InChIKey of 1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol?
The InChIKey is MDZHDEXXFPACNA-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-22(28-20-7-2-1-3-8-20)10-13-25-14-11-23(27,12-15-25)19-16-18-6-4-5-9-21(18)24-17-19/h1-9,16-17,22,26-27H,10-15H2/t22-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol?
1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol has a molecular weight of 378.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol is sourced from PubChem (CID 70242446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).