3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine

C19H24N2O — CID 25263334

IUPAC3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine
SMILESCc1c(C2CCNCC2)ccnc1O[C@@H](C)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-14-18(17-8-11-20-12-9-17)10-13-21-19(14)22-15(2)16-6-4-3-5-7-16/h3-7,10,13,15,17,20H,8-9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyYQODEJAOABPMSQ-HNNXBMFYSA-N
MW296.41 g/mol
LogP4.00
Rot. Bonds4

About 3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine

3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine (PubChem CID 25263334) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine.

Molecular Properties

Compound Name3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine
PubChem CID25263334
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine
SMILESCc1c(C2CCNCC2)ccnc1O[C@@H](C)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-14-18(17-8-11-20-12-9-17)10-13-21-19(14)22-15(2)16-6-4-3-5-7-16/h3-7,10,13,15,17,20H,8-9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyYQODEJAOABPMSQ-HNNXBMFYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine?
The IUPAC name of 3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine (CID 25263334) is 3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine.
What is the SMILES notation for 3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine?
The canonical SMILES for 3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine is Cc1c(C2CCNCC2)ccnc1O[C@@H](C)c1ccccc1.
What is the InChIKey of 3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine?
The InChIKey is YQODEJAOABPMSQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14-18(17-8-11-20-12-9-17)10-13-21-19(14)22-15(2)16-6-4-3-5-7-16/h3-7,10,13,15,17,20H,8-9,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine?
3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine has a molecular weight of 296.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1S)-1-phenylethoxy]-4-piperidin-4-ylpyridine is sourced from PubChem (CID 25263334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).