(2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol

C17H27NO3 — CID 124733596

IUPAC(2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol
SMILESCCOC[C@@H](O)COc1ccccc1N1CCC[C@@H](C)C1
InChIInChI=1S/C17H27NO3/c1-3-20-12-15(19)13-21-17-9-5-4-8-16(17)18-10-6-7-14(2)11-18/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyLHXINKRHRUISSV-HUUCEWRRSA-N
MW293.41 g/mol
LogP2.70
Rot. Bonds7

About (2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol

(2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol (PubChem CID 124733596) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol
PubChem CID124733596
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol
SMILESCCOC[C@@H](O)COc1ccccc1N1CCC[C@@H](C)C1
InChIInChI=1S/C17H27NO3/c1-3-20-12-15(19)13-21-17-9-5-4-8-16(17)18-10-6-7-14(2)11-18/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyLHXINKRHRUISSV-HUUCEWRRSA-N
XLogP2.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-[(3S)-3-methylpiperidin-1-yl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97243448
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678761
2-(3-methylpiperidin-1-yl)-6-propoxyaniline
CID 113393275
1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3659665
2-[1-(2-ethoxyphenyl)piperidin-3-yl]ethanamine
CID 117002698
1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 63931772
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
3-(3-methylpiperidin-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110561504
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63785750
1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110544700
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]piperidin-3-amine
CID 103137218
3-(4-chlorophenyl)-1-(2-ethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110570444

Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol (CID 124733596) is (2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol is CCOC[C@@H](O)COc1ccccc1N1CCC[C@@H](C)C1.
What is the InChIKey of (2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol?
The InChIKey is LHXINKRHRUISSV-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-20-12-15(19)13-21-17-9-5-4-8-16(17)18-10-6-7-14(2)11-18/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol?
(2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 124733596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).