1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid

C17H18FNO2S — CID 4009318

IUPAC1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1cccs1)c1ccccc1F
InChIInChI=1S/C17H18FNO2S/c18-13-7-2-1-6-12(13)16(15-9-5-11-22-15)19-10-4-3-8-14(19)17(20)21/h1-2,5-7,9,11,14,16H,3-4,8,10H2,(H,20,21)
InChIKeyOEYDQQIKAYNEFG-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.92
Rot. Bonds4

About 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid

1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid (PubChem CID 4009318) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid
PubChem CID4009318
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1cccs1)c1ccccc1F
InChIInChI=1S/C17H18FNO2S/c18-13-7-2-1-6-12(13)16(15-9-5-11-22-15)19-10-4-3-8-14(19)17(20)21/h1-2,5-7,9,11,14,16H,3-4,8,10H2,(H,20,21)
InChIKeyOEYDQQIKAYNEFG-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid (CID 4009318) is 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(c1cccs1)c1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid?
The InChIKey is OEYDQQIKAYNEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-13-7-2-1-6-12(13)16(15-9-5-11-22-15)19-10-4-3-8-14(19)17(20)21/h1-2,5-7,9,11,14,16H,3-4,8,10H2,(H,20,21).
What are the key properties of 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid?
1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4009318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).