2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine

C19H23ClN2O — CID 167417070

IUPAC2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine
SMILESCc1ccc(OCc2cccc(CC3CCNCC3)n2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-14-5-6-19(18(20)11-14)23-13-17-4-2-3-16(22-17)12-15-7-9-21-10-8-15/h2-6,11,15,21H,7-10,12-13H2,1H3
InChIKeyUFSMNTDLJSCQSA-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.16
Rot. Bonds5

About 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine

2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine (PubChem CID 167417070) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine
PubChem CID167417070
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine
SMILESCc1ccc(OCc2cccc(CC3CCNCC3)n2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-14-5-6-19(18(20)11-14)23-13-17-4-2-3-16(22-17)12-15-7-9-21-10-8-15/h2-6,11,15,21H,7-10,12-13H2,1H3
InChIKeyUFSMNTDLJSCQSA-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine?
The IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine (CID 167417070) is 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine.
What is the SMILES notation for 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine?
The canonical SMILES for 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine is Cc1ccc(OCc2cccc(CC3CCNCC3)n2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine?
The InChIKey is UFSMNTDLJSCQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-14-5-6-19(18(20)11-14)23-13-17-4-2-3-16(22-17)12-15-7-9-21-10-8-15/h2-6,11,15,21H,7-10,12-13H2,1H3.
What are the key properties of 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine?
2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine has a molecular weight of 330.86 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine is sourced from PubChem (CID 167417070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).