1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol

C16H24FNO3 — CID 110877558

IUPAC1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
SMILESOCC1CCCCN1CC(O)COCc1ccccc1F
InChIInChI=1S/C16H24FNO3/c17-16-7-2-1-5-13(16)11-21-12-15(20)9-18-8-4-3-6-14(18)10-19/h1-2,5,7,14-15,19-20H,3-4,6,8-12H2
InChIKeyIXZIPKMRHVVHPE-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.55
Rot. Bonds7

About 1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol

1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol (PubChem CID 110877558) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
PubChem CID110877558
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
SMILESOCC1CCCCN1CC(O)COCc1ccccc1F
InChIInChI=1S/C16H24FNO3/c17-16-7-2-1-5-13(16)11-21-12-15(20)9-18-8-4-3-6-14(18)10-19/h1-2,5,7,14-15,19-20H,3-4,6,8-12H2
InChIKeyIXZIPKMRHVVHPE-UHFFFAOYSA-N
XLogP1.55
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpiperidin-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 17390802
(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 11923360
(2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95323465
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 95307671
(2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 100837884
1-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 110892142
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 25346087
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 95336881
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 61406761
1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83045560

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol (CID 110877558) is 1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol is OCC1CCCCN1CC(O)COCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is IXZIPKMRHVVHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c17-16-7-2-1-5-13(16)11-21-12-15(20)9-18-8-4-3-6-14(18)10-19/h1-2,5,7,14-15,19-20H,3-4,6,8-12H2.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 297.37 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 110877558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).