4-phenylpiperidine-4-carboxylic acid

C12H15NO2 — CID 19259

IUPAC4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C12H15NO2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
InChIKeyDZZGGKPKWGPNJA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.39
Rot. Bonds2

About 4-phenylpiperidine-4-carboxylic acid

4-phenylpiperidine-4-carboxylic acid (PubChem CID 19259) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenylpiperidine-4-carboxylic acid
PubChem CID19259
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C12H15NO2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
InChIKeyDZZGGKPKWGPNJA-UHFFFAOYSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 4-phenylpiperidine-4-carboxylic acid (CID 19259) is 4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-phenylpiperidine-4-carboxylic acid is O=C(O)C1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-phenylpiperidine-4-carboxylic acid?
The InChIKey is DZZGGKPKWGPNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15).
What are the key properties of 4-phenylpiperidine-4-carboxylic acid?
4-phenylpiperidine-4-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 19259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).