2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine

C17H18Cl2N2O — CID 102045849

IUPAC2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
SMILESClc1ccc(C(OC2CCNCC2)c2cccnc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O/c18-13-5-3-12(4-6-13)16(15-2-1-9-21-17(15)19)22-14-7-10-20-11-8-14/h1-6,9,14,16,20H,7-8,10-11H2
InChIKeyPDISKXDTKUDTQI-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.25
Rot. Bonds4

About 2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine

2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine (PubChem CID 102045849) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
PubChem CID102045849
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
SMILESClc1ccc(C(OC2CCNCC2)c2cccnc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O/c18-13-5-3-12(4-6-13)16(15-2-1-9-21-17(15)19)22-14-7-10-20-11-8-14/h1-6,9,14,16,20H,7-8,10-11H2
InChIKeyPDISKXDTKUDTQI-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine?
The IUPAC name of 2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine (CID 102045849) is 2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine?
The canonical SMILES for 2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine is Clc1ccc(C(OC2CCNCC2)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine?
The InChIKey is PDISKXDTKUDTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-13-5-3-12(4-6-13)16(15-2-1-9-21-17(15)19)22-14-7-10-20-11-8-14/h1-6,9,14,16,20H,7-8,10-11H2.
What are the key properties of 2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine?
2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine has a molecular weight of 337.25 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine is sourced from PubChem (CID 102045849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).