1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol

C15H23NO3 — CID 59079798

IUPAC1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C[C@@H](O)COc2ccccc2)CC1
InChIInChI=1S/C15H23NO3/c1-15(18)7-9-16(10-8-15)11-13(17)12-19-14-5-3-2-4-6-14/h2-6,13,17-18H,7-12H2,1H3/t13-/m1/s1
InChIKeyGGRFMBHYKZBNKQ-CYBMUJFWSA-N
MW265.35 g/mol
LogP1.27
Rot. Bonds5

About 1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol

1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol (PubChem CID 59079798) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
PubChem CID59079798
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C[C@@H](O)COc2ccccc2)CC1
InChIInChI=1S/C15H23NO3/c1-15(18)7-9-16(10-8-15)11-13(17)12-19-14-5-3-2-4-6-14/h2-6,13,17-18H,7-12H2,1H3/t13-/m1/s1
InChIKeyGGRFMBHYKZBNKQ-CYBMUJFWSA-N
XLogP1.27
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol
CID 141082836
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
1-[4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-2-ol
CID 4234342
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
3-[3-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 62936389
3-[2-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propoxy]benzenecarbothioamide
CID 103356216
(2R)-1-phenoxy-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 97245429
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol (CID 59079798) is 1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol is CC1(O)CCN(C[C@@H](O)COc2ccccc2)CC1.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol?
The InChIKey is GGRFMBHYKZBNKQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(18)7-9-16(10-8-15)11-13(17)12-19-14-5-3-2-4-6-14/h2-6,13,17-18H,7-12H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol?
1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol has a molecular weight of 265.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 59079798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).