[1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate

C22H26FNO3 — CID 10547203

IUPAC[1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OC1CCN(CCCF)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26FNO3/c23-14-7-15-24-16-12-20(13-17-24)27-21(25)22(26,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20,26H,7,12-17H2
InChIKeyRHUKFVDTRQCUIC-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.29
Rot. Bonds7

About [1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate

[1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 10547203) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is [1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
PubChem CID10547203
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name[1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OC1CCN(CCCF)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26FNO3/c23-14-7-15-24-16-12-20(13-17-24)27-21(25)22(26,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20,26H,7,12-17H2
InChIKeyRHUKFVDTRQCUIC-UHFFFAOYSA-N
XLogP3.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate (CID 10547203) is [1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate is O=C(OC1CCN(CCCF)CC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is RHUKFVDTRQCUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c23-14-7-15-24-16-12-20(13-17-24)27-21(25)22(26,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20,26H,7,12-17H2.
What are the key properties of [1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
[1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 371.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 10547203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).