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

C19H23ClN2O — CID 25263337

IUPAC2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine
SMILESCc1c(C2CCNCC2)ccnc1O[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-13-18(15-6-9-21-10-7-15)8-11-22-19(13)23-14(2)16-4-3-5-17(20)12-16/h3-5,8,11-12,14-15,21H,6-7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyNZCHNSFMTNOSTL-CQSZACIVSA-N
MW330.86 g/mol
LogP4.65
Rot. Bonds4

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

2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine (PubChem CID 25263337) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine
PubChem CID25263337
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine
SMILESCc1c(C2CCNCC2)ccnc1O[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-13-18(15-6-9-21-10-7-15)8-11-22-19(13)23-14(2)16-4-3-5-17(20)12-16/h3-5,8,11-12,14-15,21H,6-7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyNZCHNSFMTNOSTL-CQSZACIVSA-N
XLogP4.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine?
The IUPAC name of 2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine (CID 25263337) is 2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine.
What is the SMILES notation for 2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine?
The canonical SMILES for 2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine is Cc1c(C2CCNCC2)ccnc1O[C@H](C)c1cccc(Cl)c1.
What is the InChIKey of 2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine?
The InChIKey is NZCHNSFMTNOSTL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-13-18(15-6-9-21-10-7-15)8-11-22-19(13)23-14(2)16-4-3-5-17(20)12-16/h3-5,8,11-12,14-15,21H,6-7,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine?
2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine has a molecular weight of 330.86 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine is sourced from PubChem (CID 25263337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).