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

C19H23ClN2O — CID 25263336

IUPAC2-[(1S)-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-/m0/s1
InChIKeyNZCHNSFMTNOSTL-AWEZNQCLSA-N
MW330.86 g/mol
LogP4.65
Rot. Bonds4

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

2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine (PubChem CID 25263336) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine
PubChem CID25263336
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-[(1S)-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-/m0/s1
InChIKeyNZCHNSFMTNOSTL-AWEZNQCLSA-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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Related Compounds

2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
2-(2-Chlorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133853
2-chloro-3-pyridin-3-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 9928945
4-Phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983456
4-(2-Chlorophenyl)-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983836
2-[(3-Chlorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263326
2-[(3-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263327
3-Methyl-4-(piperidin-4-yl)-2-{[3-(trifluoromethyl)phenyl]methoxy}pyridine
CID 25263328
2-[(4-Chlorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263330
2-[(2,4-Difluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263333

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine?
The IUPAC name of 2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine (CID 25263336) is 2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine.
What is the SMILES notation for 2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine?
The canonical SMILES for 2-[(1S)-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-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine?
The InChIKey is NZCHNSFMTNOSTL-AWEZNQCLSA-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-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine?
2-[(1S)-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-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-piperidin-4-ylpyridine is sourced from PubChem (CID 25263336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).