2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine

C12H18N2O — CID 156527640

IUPAC2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine
SMILESCC[C@@H]1CNCC[C@@H]1Oc1ccccn1
InChIInChI=1S/C12H18N2O/c1-2-10-9-13-8-6-11(10)15-12-5-3-4-7-14-12/h3-5,7,10-11,13H,2,6,8-9H2,1H3/t10-,11+/m1/s1
InChIKeyWRAOKYMNIBANAS-MNOVXSKESA-N
MW206.29 g/mol
LogP1.85
Rot. Bonds3

About 2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine

2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine (PubChem CID 156527640) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine
PubChem CID156527640
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine
SMILESCC[C@@H]1CNCC[C@@H]1Oc1ccccn1
InChIInChI=1S/C12H18N2O/c1-2-10-9-13-8-6-11(10)15-12-5-3-4-7-14-12/h3-5,7,10-11,13H,2,6,8-9H2,1H3/t10-,11+/m1/s1
InChIKeyWRAOKYMNIBANAS-MNOVXSKESA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71302121
ethane;2-piperidin-4-yloxypyridine
CID 142889945
2-(pyrrolidin-3-ylmethoxy)pyridine
CID 62371943
2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine
CID 125192101
3-ethyl-4-phenylpiperidine
CID 56828112
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752187
4-(4-methylpiperidin-3-yl)oxypyrimidine
CID 102954700
4-ethyl-3-phenylpiperidine
CID 175022073
2-ethyl-3-[(4-phenylpiperidin-3-yl)methoxy]pyridine
CID 69448397
2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole
CID 114510643
3-ethyl-4-(2-ethylphenyl)piperidine
CID 79310603

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine?
The IUPAC name of 2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine (CID 156527640) is 2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine is CC[C@@H]1CNCC[C@@H]1Oc1ccccn1.
What is the InChIKey of 2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine?
The InChIKey is WRAOKYMNIBANAS-MNOVXSKESA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-10-9-13-8-6-11(10)15-12-5-3-4-7-14-12/h3-5,7,10-11,13H,2,6,8-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine?
2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine has a molecular weight of 206.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-ethylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 156527640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).