3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid

C19H21FN2O2 — CID 56868415

IUPAC3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(F)cc2)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C19H21FN2O2/c20-17-4-2-15(3-5-17)12-19(18(23)24)8-1-11-22(14-19)13-16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-14H2,(H,23,24)
InChIKeyUADCIPRHMMIADI-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.13
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid

3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 56868415) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
PubChem CID56868415
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(F)cc2)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C19H21FN2O2/c20-17-4-2-15(3-5-17)12-19(18(23)24)8-1-11-22(14-19)13-16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-14H2,(H,23,24)
InChIKeyUADCIPRHMMIADI-UHFFFAOYSA-N
XLogP3.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid (CID 56868415) is 3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid is O=C(O)C1(Cc2ccc(F)cc2)CCCN(Cc2ccncc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is UADCIPRHMMIADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-17-4-2-15(3-5-17)12-19(18(23)24)8-1-11-22(14-19)13-16-6-9-21-10-7-16/h2-7,9-10H,1,8,11-14H2,(H,23,24).
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 328.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 56868415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).