(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid

C11H14N2O2 — CID 86332569

IUPAC(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2cccnc2)C1
InChIInChI=1S/C11H14N2O2/c14-11(15)9-3-2-6-13(8-9)10-4-1-5-12-7-10/h1,4-5,7,9H,2-3,6,8H2,(H,14,15)/t9-/m1/s1
InChIKeyFDLLPYVJNYKRNU-SECBINFHSA-N
MW206.25 g/mol
LogP1.38
Rot. Bonds2

About (3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid

(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid (PubChem CID 86332569) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
PubChem CID86332569
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2cccnc2)C1
InChIInChI=1S/C11H14N2O2/c14-11(15)9-3-2-6-13(8-9)10-4-1-5-12-7-10/h1,4-5,7,9H,2-3,6,8H2,(H,14,15)/t9-/m1/s1
InChIKeyFDLLPYVJNYKRNU-SECBINFHSA-N
XLogP1.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid (CID 86332569) is (3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(c2cccnc2)C1.
What is the InChIKey of (3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid?
The InChIKey is FDLLPYVJNYKRNU-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)9-3-2-6-13(8-9)10-4-1-5-12-7-10/h1,4-5,7,9H,2-3,6,8H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid?
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 86332569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).