4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine

C12H18N2O — CID 125499044

IUPAC4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine
SMILESCCO[C@@H]1C[C@H](c2ccncc2)CCN1
InChIInChI=1S/C12H18N2O/c1-2-15-12-9-11(5-8-14-12)10-3-6-13-7-4-10/h3-4,6-7,11-12,14H,2,5,8-9H2,1H3/t11-,12-/m1/s1
InChIKeyHISHWHZAPCRJKE-VXGBXAGGSA-N
MW206.29 g/mol
LogP1.91
Rot. Bonds3

About 4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine

4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine (PubChem CID 125499044) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine.

Molecular Properties

Compound Name4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine
PubChem CID125499044
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine
SMILESCCO[C@@H]1C[C@H](c2ccncc2)CCN1
InChIInChI=1S/C12H18N2O/c1-2-15-12-9-11(5-8-14-12)10-3-6-13-7-4-10/h3-4,6-7,11-12,14H,2,5,8-9H2,1H3/t11-,12-/m1/s1
InChIKeyHISHWHZAPCRJKE-VXGBXAGGSA-N
XLogP1.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine?
The IUPAC name of 4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine (CID 125499044) is 4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine.
What is the SMILES notation for 4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine?
The canonical SMILES for 4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine is CCO[C@@H]1C[C@H](c2ccncc2)CCN1.
What is the InChIKey of 4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine?
The InChIKey is HISHWHZAPCRJKE-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-15-12-9-11(5-8-14-12)10-3-6-13-7-4-10/h3-4,6-7,11-12,14H,2,5,8-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of 4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine?
4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine has a molecular weight of 206.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,4R)-2-ethoxypiperidin-4-yl]pyridine is sourced from PubChem (CID 125499044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).