1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid

C14H18FNO2 — CID 21304006

IUPAC1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)5-8-16-9-6-12(7-10-16)14(17)18/h1-4,12H,5-10H2,(H,17,18)
InChIKeyIMVDIGOUPCAXST-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.16
Rot. Bonds4

About 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid

1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid (PubChem CID 21304006) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid
PubChem CID21304006
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)5-8-16-9-6-12(7-10-16)14(17)18/h1-4,12H,5-10H2,(H,17,18)
InChIKeyIMVDIGOUPCAXST-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid (CID 21304006) is 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is IMVDIGOUPCAXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)5-8-16-9-6-12(7-10-16)14(17)18/h1-4,12H,5-10H2,(H,17,18).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid?
1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 21304006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).