(3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid

C15H24N2O2 — CID 138977984

IUPAC(3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid
SMILESC=CCCN1C[C@H](C(=O)O)C[C@H]([C@H]2CC=CCN2)C1
InChIInChI=1S/C15H24N2O2/c1-2-3-8-17-10-12(9-13(11-17)15(18)19)14-6-4-5-7-16-14/h2,4-5,12-14,16H,1,3,6-11H2,(H,18,19)/t12-,13+,14+/m0/s1
InChIKeyXZIBMKRWCCWIEI-BFHYXJOUSA-N
MW264.37 g/mol
LogP1.50
Rot. Bonds5

About (3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid

(3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid (PubChem CID 138977984) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid
PubChem CID138977984
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid
SMILESC=CCCN1C[C@H](C(=O)O)C[C@H]([C@H]2CC=CCN2)C1
InChIInChI=1S/C15H24N2O2/c1-2-3-8-17-10-12(9-13(11-17)15(18)19)14-6-4-5-7-16-14/h2,4-5,12-14,16H,1,3,6-11H2,(H,18,19)/t12-,13+,14+/m0/s1
InChIKeyXZIBMKRWCCWIEI-BFHYXJOUSA-N
XLogP1.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
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,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid?
The IUPAC name of (3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid (CID 138977984) is (3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid is C=CCCN1C[C@H](C(=O)O)C[C@H]([C@H]2CC=CCN2)C1.
What is the InChIKey of (3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid?
The InChIKey is XZIBMKRWCCWIEI-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-8-17-10-12(9-13(11-17)15(18)19)14-6-4-5-7-16-14/h2,4-5,12-14,16H,1,3,6-11H2,(H,18,19)/t12-,13+,14+/m0/s1.
What are the key properties of (3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid?
(3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-but-3-enyl-5-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 138977984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).