ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate

C16H22FNO2 — CID 22012231

IUPACethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-2-20-16(19)9-12-18-10-7-14(8-11-18)13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3
InChIKeyOISPPYAHNHQFSI-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.96
Rot. Bonds5

About ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate

ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate (PubChem CID 22012231) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate
PubChem CID22012231
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Nameethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-2-20-16(19)9-12-18-10-7-14(8-11-18)13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3
InChIKeyOISPPYAHNHQFSI-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate?
The IUPAC name of ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate (CID 22012231) is ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate is CCOC(=O)CCN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate?
The InChIKey is OISPPYAHNHQFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-20-16(19)9-12-18-10-7-14(8-11-18)13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3.
What are the key properties of ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate?
ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate has a molecular weight of 279.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 22012231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).