3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine

C19H24N2O2 — CID 45269726

IUPAC3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine
SMILESCCOc1ccccc1OC(c1cccnc1)C1CCNCC1
InChIInChI=1S/C19H24N2O2/c1-2-22-17-7-3-4-8-18(17)23-19(15-9-12-20-13-10-15)16-6-5-11-21-14-16/h3-8,11,14-15,19-20H,2,9-10,12-13H2,1H3
InChIKeyXXHZUORXKGMGAL-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.60
Rot. Bonds6

About 3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine

3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine (PubChem CID 45269726) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine.

Molecular Properties

Compound Name3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine
PubChem CID45269726
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine
SMILESCCOc1ccccc1OC(c1cccnc1)C1CCNCC1
InChIInChI=1S/C19H24N2O2/c1-2-22-17-7-3-4-8-18(17)23-19(15-9-12-20-13-10-15)16-6-5-11-21-14-16/h3-8,11,14-15,19-20H,2,9-10,12-13H2,1H3
InChIKeyXXHZUORXKGMGAL-UHFFFAOYSA-N
XLogP3.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine?
The IUPAC name of 3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine (CID 45269726) is 3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine.
What is the SMILES notation for 3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine?
The canonical SMILES for 3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine is CCOc1ccccc1OC(c1cccnc1)C1CCNCC1.
What is the InChIKey of 3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine?
The InChIKey is XXHZUORXKGMGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-22-17-7-3-4-8-18(17)23-19(15-9-12-20-13-10-15)16-6-5-11-21-14-16/h3-8,11,14-15,19-20H,2,9-10,12-13H2,1H3.
What are the key properties of 3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine?
3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine has a molecular weight of 312.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenoxy)-piperidin-4-ylmethyl]pyridine is sourced from PubChem (CID 45269726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).