(3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol

C16H25NO4 — CID 100848872

IUPAC(3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol
SMILESCOc1ccccc1COC[C@H](O)CN1CCC[C@@H](O)C1
InChIInChI=1S/C16H25NO4/c1-20-16-7-3-2-5-13(16)11-21-12-15(19)10-17-8-4-6-14(18)9-17/h2-3,5,7,14-15,18-19H,4,6,8-12H2,1H3/t14-,15-/m1/s1
InChIKeyHBAYZVVDWJITNO-HUUCEWRRSA-N
MW295.38 g/mol
LogP1.03
Rot. Bonds7

About (3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol

(3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol (PubChem CID 100848872) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol
PubChem CID100848872
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol
SMILESCOc1ccccc1COC[C@H](O)CN1CCC[C@@H](O)C1
InChIInChI=1S/C16H25NO4/c1-20-16-7-3-2-5-13(16)11-21-12-15(19)10-17-8-4-6-14(18)9-17/h2-3,5,7,14-15,18-19H,4,6,8-12H2,1H3/t14-,15-/m1/s1
InChIKeyHBAYZVVDWJITNO-HUUCEWRRSA-N
XLogP1.03
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethyl-1,4-diazepan-1-yl)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111102960
(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 11923360
2-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42926668
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol
CID 18081673
(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
CID 107226168
(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
CID 94814851
1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111488960
1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 111437418
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588343
(2S)-1-(azepan-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588345
(2S)-1-[(2-methoxyphenyl)methoxy]-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-2-ol
CID 97211625
(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 25490234

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol (CID 100848872) is (3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol is COc1ccccc1COC[C@H](O)CN1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol?
The InChIKey is HBAYZVVDWJITNO-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H25NO4/c1-20-16-7-3-2-5-13(16)11-21-12-15(19)10-17-8-4-6-14(18)9-17/h2-3,5,7,14-15,18-19H,4,6,8-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol?
(3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol has a molecular weight of 295.38 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol is sourced from PubChem (CID 100848872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).