piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate

C22H26FNO3 — CID 86344837

IUPACpiperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate
SMILESO=C(OC1CCNCC1)C(OCCCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26FNO3/c23-14-7-17-26-22(18-8-3-1-4-9-18,19-10-5-2-6-11-19)21(25)27-20-12-15-24-16-13-20/h1-6,8-11,20,24H,7,12-17H2
InChIKeyFDZJTMPGOJILJK-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.60
Rot. Bonds8

About piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate

piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate (PubChem CID 86344837) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate.

Molecular Properties

Compound Namepiperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate
PubChem CID86344837
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Namepiperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate
SMILESO=C(OC1CCNCC1)C(OCCCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26FNO3/c23-14-7-17-26-22(18-8-3-1-4-9-18,19-10-5-2-6-11-19)21(25)27-20-12-15-24-16-13-20/h1-6,8-11,20,24H,7,12-17H2
InChIKeyFDZJTMPGOJILJK-UHFFFAOYSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate?
The IUPAC name of piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate (CID 86344837) is piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate.
What is the SMILES notation for piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate?
The canonical SMILES for piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate is O=C(OC1CCNCC1)C(OCCCF)(c1ccccc1)c1ccccc1.
What is the InChIKey of piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate?
The InChIKey is FDZJTMPGOJILJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c23-14-7-17-26-22(18-8-3-1-4-9-18,19-10-5-2-6-11-19)21(25)27-20-12-15-24-16-13-20/h1-6,8-11,20,24H,7,12-17H2.
What are the key properties of piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate?
piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate has a molecular weight of 371.45 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2-(3-fluoropropoxy)-2,2-diphenylacetate is sourced from PubChem (CID 86344837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).