3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine

C19H23ClN2 — CID 23223752

IUPAC3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine
SMILESCN1CCCCC1c1ncccc1CCc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2/c1-22-13-3-2-9-18(22)19-16(7-5-12-21-19)11-10-15-6-4-8-17(20)14-15/h4-8,12,14,18H,2-3,9-11,13H2,1H3
InChIKeyYLQXBFKOTMYKLC-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.68
Rot. Bonds4

About 3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine

3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine (PubChem CID 23223752) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine
PubChem CID23223752
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine
SMILESCN1CCCCC1c1ncccc1CCc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2/c1-22-13-3-2-9-18(22)19-16(7-5-12-21-19)11-10-15-6-4-8-17(20)14-15/h4-8,12,14,18H,2-3,9-11,13H2,1H3
InChIKeyYLQXBFKOTMYKLC-UHFFFAOYSA-N
XLogP4.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl]-1-methylpiperidine-4-carbaldehyde
CID 156695806
3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile;[3-[2-(3-methylphenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone
CID 157474391
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride
CID 21355676
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162609
4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807
4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900935
[4-[2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 143151043
3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63355001
[2-(3-chlorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]hydrazine
CID 105195028

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine?
The IUPAC name of 3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine (CID 23223752) is 3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine is CN1CCCCC1c1ncccc1CCc1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine?
The InChIKey is YLQXBFKOTMYKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c1-22-13-3-2-9-18(22)19-16(7-5-12-21-19)11-10-15-6-4-8-17(20)14-15/h4-8,12,14,18H,2-3,9-11,13H2,1H3.
What are the key properties of 3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine?
3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine has a molecular weight of 314.86 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine is sourced from PubChem (CID 23223752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).