4-amino-1-phenylpiperidine-4-carboxylic acid

C12H16N2O2 — CID 22145262

IUPAC4-amino-1-phenylpiperidine-4-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ccccc2)CC1
InChIInChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)
InChIKeyFPGAOFXYANTSRQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.07
Rot. Bonds2

About 4-amino-1-phenylpiperidine-4-carboxylic acid

4-amino-1-phenylpiperidine-4-carboxylic acid (PubChem CID 22145262) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-amino-1-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-phenylpiperidine-4-carboxylic acid
PubChem CID22145262
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-amino-1-phenylpiperidine-4-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ccccc2)CC1
InChIInChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)
InChIKeyFPGAOFXYANTSRQ-UHFFFAOYSA-N
XLogP1.07
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-phenylpiperidine-4-carboxylic acid (CID 22145262) is 4-amino-1-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-phenylpiperidine-4-carboxylic acid is NC1(C(=O)O)CCN(c2ccccc2)CC1.
What is the InChIKey of 4-amino-1-phenylpiperidine-4-carboxylic acid?
The InChIKey is FPGAOFXYANTSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16).
What are the key properties of 4-amino-1-phenylpiperidine-4-carboxylic acid?
4-amino-1-phenylpiperidine-4-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 22145262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).