(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol

C17H27NO4 — CID 11923360

IUPAC(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccccc1COC[C@@H](O)CN1CCCC[C@@H]1CO
InChIInChI=1S/C17H27NO4/c1-21-17-8-3-2-6-14(17)12-22-13-16(20)10-18-9-5-4-7-15(18)11-19/h2-3,6,8,15-16,19-20H,4-5,7,9-13H2,1H3/t15-,16+/m1/s1
InChIKeyPFDOMIHOTPTBDC-CVEARBPZSA-N
MW309.41 g/mol
LogP1.42
Rot. Bonds8

About (2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol

(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol (PubChem CID 11923360) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
PubChem CID11923360
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccccc1COC[C@@H](O)CN1CCCC[C@@H]1CO
InChIInChI=1S/C17H27NO4/c1-21-17-8-3-2-6-14(17)12-22-13-16(20)10-18-9-5-4-7-15(18)11-19/h2-3,6,8,15-16,19-20H,4-5,7,9-13H2,1H3/t15-,16+/m1/s1
InChIKeyPFDOMIHOTPTBDC-CVEARBPZSA-N
XLogP1.42
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol with MolForge

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Related Compounds

1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 110877558
(3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol
CID 100848872
1-(2-ethylpiperidin-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 17390802
1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 61406761
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
(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-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 124816258
1-(4-ethyl-1,4-diazepan-1-yl)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111102960
1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83045560
1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111488960
2-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42926668
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
CID 111103265

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of (2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol (CID 11923360) is (2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol is COc1ccccc1COC[C@@H](O)CN1CCCC[C@@H]1CO.
What is the InChIKey of (2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The InChIKey is PFDOMIHOTPTBDC-CVEARBPZSA-N. The full InChI is InChI=1S/C17H27NO4/c1-21-17-8-3-2-6-14(17)12-22-13-16(20)10-18-9-5-4-7-15(18)11-19/h2-3,6,8,15-16,19-20H,4-5,7,9-13H2,1H3/t15-,16+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol has a molecular weight of 309.41 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 11923360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).