2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine

C20H25ClN2O — CID 25263338

IUPAC2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine
SMILESCCC(Oc1nccc(C2CCNCC2)c1C)c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O/c1-3-19(16-5-4-6-17(21)13-16)24-20-14(2)18(9-12-23-20)15-7-10-22-11-8-15/h4-6,9,12-13,15,19,22H,3,7-8,10-11H2,1-2H3
InChIKeyYXJZUDFVSPPNEB-UHFFFAOYSA-N
MW344.89 g/mol
LogP5.04
Rot. Bonds5

About 2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine

2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine (PubChem CID 25263338) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine
PubChem CID25263338
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine
SMILESCCC(Oc1nccc(C2CCNCC2)c1C)c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O/c1-3-19(16-5-4-6-17(21)13-16)24-20-14(2)18(9-12-23-20)15-7-10-22-11-8-15/h4-6,9,12-13,15,19,22H,3,7-8,10-11H2,1-2H3
InChIKeyYXJZUDFVSPPNEB-UHFFFAOYSA-N
XLogP5.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.89
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine?
The IUPAC name of 2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine (CID 25263338) is 2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine?
The canonical SMILES for 2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine is CCC(Oc1nccc(C2CCNCC2)c1C)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine?
The InChIKey is YXJZUDFVSPPNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-3-19(16-5-4-6-17(21)13-16)24-20-14(2)18(9-12-23-20)15-7-10-22-11-8-15/h4-6,9,12-13,15,19,22H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine?
2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine has a molecular weight of 344.89 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)propoxy]-3-methyl-4-piperidin-4-ylpyridine is sourced from PubChem (CID 25263338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).