methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate

C17H22FNO3 — CID 70767107

IUPACmethyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c1-22-17(21)7-4-6-16(20)19-12-3-2-5-15(19)13-8-10-14(18)11-9-13/h8-11,15H,2-7,12H2,1H3
InChIKeyQFQRZJRPBFCGJO-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.22
Rot. Bonds5

About methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate

methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate (PubChem CID 70767107) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate
PubChem CID70767107
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Namemethyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c1-22-17(21)7-4-6-16(20)19-12-3-2-5-15(19)13-8-10-14(18)11-9-13/h8-11,15H,2-7,12H2,1H3
InChIKeyQFQRZJRPBFCGJO-UHFFFAOYSA-N
XLogP3.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate?
The IUPAC name of methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate (CID 70767107) is methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate?
The canonical SMILES for methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate is COC(=O)CCCC(=O)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate?
The InChIKey is QFQRZJRPBFCGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-22-17(21)7-4-6-16(20)19-12-3-2-5-15(19)13-8-10-14(18)11-9-13/h8-11,15H,2-7,12H2,1H3.
What are the key properties of methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate?
methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate has a molecular weight of 307.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(4-fluorophenyl)piperidin-1-yl]-5-oxopentanoate is sourced from PubChem (CID 70767107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).