2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine

C18H21ClN2O2 — CID 156541290

IUPAC2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine
SMILESCCOc1ccccc1OC1CCCN(c2cccc(Cl)n2)C1
InChIInChI=1S/C18H21ClN2O2/c1-2-22-15-8-3-4-9-16(15)23-14-7-6-12-21(13-14)18-11-5-10-17(19)20-18/h3-5,8-11,14H,2,6-7,12-13H2,1H3
InChIKeyPZAFUJUUBWVBEC-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.18
Rot. Bonds5

About 2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine

2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine (PubChem CID 156541290) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine
PubChem CID156541290
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine
SMILESCCOc1ccccc1OC1CCCN(c2cccc(Cl)n2)C1
InChIInChI=1S/C18H21ClN2O2/c1-2-22-15-8-3-4-9-16(15)23-14-7-6-12-21(13-14)18-11-5-10-17(19)20-18/h3-5,8-11,14H,2,6-7,12-13H2,1H3
InChIKeyPZAFUJUUBWVBEC-UHFFFAOYSA-N
XLogP4.18
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine?
The IUPAC name of 2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine (CID 156541290) is 2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine is CCOc1ccccc1OC1CCCN(c2cccc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine?
The InChIKey is PZAFUJUUBWVBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-2-22-15-8-3-4-9-16(15)23-14-7-6-12-21(13-14)18-11-5-10-17(19)20-18/h3-5,8-11,14H,2,6-7,12-13H2,1H3.
What are the key properties of 2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine?
2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine has a molecular weight of 332.83 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 156541290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).