(3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid

C14H18N2O2 — CID 97121317

IUPAC(3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid
SMILESC=CC[C@]1(C(=O)O)CCCN(c2ccncc2)C1
InChIInChI=1S/C14H18N2O2/c1-2-6-14(13(17)18)7-3-10-16(11-14)12-4-8-15-9-5-12/h2,4-5,8-9H,1,3,6-7,10-11H2,(H,17,18)/t14-/m0/s1
InChIKeyOXYXOGHAHVFHOW-AWEZNQCLSA-N
MW246.31 g/mol
LogP2.33
Rot. Bonds4

About (3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid

(3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid (PubChem CID 97121317) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid
PubChem CID97121317
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid
SMILESC=CC[C@]1(C(=O)O)CCCN(c2ccncc2)C1
InChIInChI=1S/C14H18N2O2/c1-2-6-14(13(17)18)7-3-10-16(11-14)12-4-8-15-9-5-12/h2,4-5,8-9H,1,3,6-7,10-11H2,(H,17,18)/t14-/m0/s1
InChIKeyOXYXOGHAHVFHOW-AWEZNQCLSA-N
XLogP2.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid (CID 97121317) is (3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid is C=CC[C@]1(C(=O)O)CCCN(c2ccncc2)C1.
What is the InChIKey of (3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid?
The InChIKey is OXYXOGHAHVFHOW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-6-14(13(17)18)7-3-10-16(11-14)12-4-8-15-9-5-12/h2,4-5,8-9H,1,3,6-7,10-11H2,(H,17,18)/t14-/m0/s1.
What are the key properties of (3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid?
(3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-prop-2-enyl-1-pyridin-4-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 97121317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).