1-phenylpiperidine-4-carboxylic acid

C12H15NO2 — CID 3023990

IUPAC1-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H15NO2/c14-12(15)10-6-8-13(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15)
InChIKeyIXLCEJNZWAYHPL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.99
Rot. Bonds2

About 1-phenylpiperidine-4-carboxylic acid

1-phenylpiperidine-4-carboxylic acid (PubChem CID 3023990) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-phenylpiperidine-4-carboxylic acid
PubChem CID3023990
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H15NO2/c14-12(15)10-6-8-13(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15)
InChIKeyIXLCEJNZWAYHPL-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-phenylpiperidine-4-carboxylic acid (CID 3023990) is 1-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-phenylpiperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenylpiperidine-4-carboxylic acid?
The InChIKey is IXLCEJNZWAYHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)10-6-8-13(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15).
What are the key properties of 1-phenylpiperidine-4-carboxylic acid?
1-phenylpiperidine-4-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 3023990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).