1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol

C24H28N2O4 — CID 70237669

IUPAC1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
SMILESCOc1ccccc1OC[C@@H](O)CN1CCC(O)(c2cnc3ccccc3c2)CC1
InChIInChI=1S/C24H28N2O4/c1-29-22-8-4-5-9-23(22)30-17-20(27)16-26-12-10-24(28,11-13-26)19-14-18-6-2-3-7-21(18)25-15-19/h2-9,14-15,20,27-28H,10-13,16-17H2,1H3/t20-/m0/s1
InChIKeyDIFSHHPGPWWLKD-FQEVSTJZSA-N
MW408.50 g/mol
LogP2.97
Rot. Bonds7

About 1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol

1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol (PubChem CID 70237669) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
PubChem CID70237669
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
SMILESCOc1ccccc1OC[C@@H](O)CN1CCC(O)(c2cnc3ccccc3c2)CC1
InChIInChI=1S/C24H28N2O4/c1-29-22-8-4-5-9-23(22)30-17-20(27)16-26-12-10-24(28,11-13-26)19-14-18-6-2-3-7-21(18)25-15-19/h2-9,14-15,20,27-28H,10-13,16-17H2,1H3/t20-/m0/s1
InChIKeyDIFSHHPGPWWLKD-FQEVSTJZSA-N
XLogP2.97
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70242410
1-[4-[(2S)-2-hydroxy-3-(4-hydroxy-4-quinolin-3-ylpiperidin-1-yl)propoxy]-3-methylphenyl]ethanone
CID 70240099
1-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70240604
1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
CID 56981117
1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol
CID 53370935
1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 57168911
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 29169851
(2S)-1-(2-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 95390818
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
1-[(2S)-2-hydroxy-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propyl]-4-naphthalen-2-ylpiperidin-4-ol;hydrochloride
CID 69497881
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 40840925
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 40840923

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol (CID 70237669) is 1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol is COc1ccccc1OC[C@@H](O)CN1CCC(O)(c2cnc3ccccc3c2)CC1.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol?
The InChIKey is DIFSHHPGPWWLKD-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-29-22-8-4-5-9-23(22)30-17-20(27)16-26-12-10-24(28,11-13-26)19-14-18-6-2-3-7-21(18)25-15-19/h2-9,14-15,20,27-28H,10-13,16-17H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol?
1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol has a molecular weight of 408.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol is sourced from PubChem (CID 70237669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).