2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine

C17H18Cl2N2O — CID 45268026

IUPAC2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine
SMILESClc1ccc(OC(c2ccccn2)C2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c18-13-4-5-16(14(19)11-13)22-17(12-6-9-20-10-7-12)15-3-1-2-8-21-15/h1-5,8,11-12,17,20H,6-7,9-10H2
InChIKeyFWQBSLOVNYWJFZ-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.51
Rot. Bonds4

About 2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine

2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine (PubChem CID 45268026) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine
PubChem CID45268026
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine
SMILESClc1ccc(OC(c2ccccn2)C2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c18-13-4-5-16(14(19)11-13)22-17(12-6-9-20-10-7-12)15-3-1-2-8-21-15/h1-5,8,11-12,17,20H,6-7,9-10H2
InChIKeyFWQBSLOVNYWJFZ-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The IUPAC name of 2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine (CID 45268026) is 2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine is Clc1ccc(OC(c2ccccn2)C2CCNCC2)c(Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The InChIKey is FWQBSLOVNYWJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-13-4-5-16(14(19)11-13)22-17(12-6-9-20-10-7-12)15-3-1-2-8-21-15/h1-5,8,11-12,17,20H,6-7,9-10H2.
What are the key properties of 2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine?
2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine has a molecular weight of 337.25 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine is sourced from PubChem (CID 45268026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).