2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine

C18H20Cl2N2O — CID 24801102

IUPAC2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine
SMILESClc1cc(COCC2(c3ccccc3)CCNCC2)cc(Cl)n1
InChIInChI=1S/C18H20Cl2N2O/c19-16-10-14(11-17(20)22-16)12-23-13-18(6-8-21-9-7-18)15-4-2-1-3-5-15/h1-5,10-11,21H,6-9,12-13H2
InChIKeyMVKSYUFMIAFXLU-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.23
Rot. Bonds5

About 2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine

2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine (PubChem CID 24801102) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is 2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine
PubChem CID24801102
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine
SMILESClc1cc(COCC2(c3ccccc3)CCNCC2)cc(Cl)n1
InChIInChI=1S/C18H20Cl2N2O/c19-16-10-14(11-17(20)22-16)12-23-13-18(6-8-21-9-7-18)15-4-2-1-3-5-15/h1-5,10-11,21H,6-9,12-13H2
InChIKeyMVKSYUFMIAFXLU-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.23
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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Related Compounds

2-Chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24800927
2-Chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24801101
2-Chloro-6-(((4-(4-fluorophenyl)-1-methylpiperidin-4-yl)methoxy)methyl)-4-(trifluoromethyl)pyridine
CID 24801457
2-Chloro-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24801626
4-Chloro-2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine
CID 24801627
2-Chloro-6-[[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24801792
2-Chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 71541370
4-Chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine
CID 71541372
2-Chloro-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24782410
2-Chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24782411
2,6-Dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24782652
3-Chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785713

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine?
The IUPAC name of 2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine (CID 24801102) is 2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine.
What is the SMILES notation for 2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine?
The canonical SMILES for 2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine is Clc1cc(COCC2(c3ccccc3)CCNCC2)cc(Cl)n1.
What is the InChIKey of 2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine?
The InChIKey is MVKSYUFMIAFXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c19-16-10-14(11-17(20)22-16)12-23-13-18(6-8-21-9-7-18)15-4-2-1-3-5-15/h1-5,10-11,21H,6-9,12-13H2.
What are the key properties of 2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine?
2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine has a molecular weight of 351.28 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine is sourced from PubChem (CID 24801102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).