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

C16H22FNO2 — CID 18933311

IUPACethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-2-20-16(19)11-15-5-3-4-10-18(15)12-13-6-8-14(17)9-7-13/h6-9,15H,2-5,10-12H2,1H3
InChIKeyBSPYPJLXXCKDTM-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.13
Rot. Bonds5

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

ethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate (PubChem CID 18933311) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate
PubChem CID18933311
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Nameethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-2-20-16(19)11-15-5-3-4-10-18(15)12-13-6-8-14(17)9-7-13/h6-9,15H,2-5,10-12H2,1H3
InChIKeyBSPYPJLXXCKDTM-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate (CID 18933311) is ethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1Cc1ccc(F)cc1.
What is the InChIKey of ethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate?
The InChIKey is BSPYPJLXXCKDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-20-16(19)11-15-5-3-4-10-18(15)12-13-6-8-14(17)9-7-13/h6-9,15H,2-5,10-12H2,1H3.
What are the key properties of ethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate?
ethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate has a molecular weight of 279.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetate is sourced from PubChem (CID 18933311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).