ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate

C20H22FNO2 — CID 164667207

IUPACethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C20H22FNO2/c1-2-24-20(23)16-9-6-12-22(14-16)17-10-11-18(19(21)13-17)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,2,6,9,12,14H2,1H3
InChIKeyUYGYXZWRZNBHEJ-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.27
Rot. Bonds4

About ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate

ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate (PubChem CID 164667207) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate
PubChem CID164667207
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Nameethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C20H22FNO2/c1-2-24-20(23)16-9-6-12-22(14-16)17-10-11-18(19(21)13-17)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,2,6,9,12,14H2,1H3
InChIKeyUYGYXZWRZNBHEJ-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate (CID 164667207) is ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ccc(-c3ccccc3)c(F)c2)C1.
What is the InChIKey of ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate?
The InChIKey is UYGYXZWRZNBHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-2-24-20(23)16-9-6-12-22(14-16)17-10-11-18(19(21)13-17)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,2,6,9,12,14H2,1H3.
What are the key properties of ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate?
ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate has a molecular weight of 327.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-fluoro-4-phenylphenyl)piperidine-3-carboxylate is sourced from PubChem (CID 164667207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).