ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate

C16H22FNO2 — CID 70007809

IUPACethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-2-20-16(19)12-18-9-7-14(8-10-18)11-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3
InChIKeyVPIWQTBSTXGLIO-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.64
Rot. Bonds5

About ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate

ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate (PubChem CID 70007809) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate
PubChem CID70007809
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Nameethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-2-20-16(19)12-18-9-7-14(8-10-18)11-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3
InChIKeyVPIWQTBSTXGLIO-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate (CID 70007809) is ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate is CCOC(=O)CN1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate?
The InChIKey is VPIWQTBSTXGLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-20-16(19)12-18-9-7-14(8-10-18)11-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3.
What are the key properties of ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate?
ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate has a molecular weight of 279.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetate is sourced from PubChem (CID 70007809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).