4-chloro-3-(4-ethylpiperidin-1-yl)pyridine

C12H17ClN2 — CID 176552939

IUPAC4-chloro-3-(4-ethylpiperidin-1-yl)pyridine
SMILESCCC1CCN(c2cnccc2Cl)CC1
InChIInChI=1S/C12H17ClN2/c1-2-10-4-7-15(8-5-10)12-9-14-6-3-11(12)13/h3,6,9-10H,2,4-5,7-8H2,1H3
InChIKeySUOYHEVKIVJEQW-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.36
Rot. Bonds2

About 4-chloro-3-(4-ethylpiperidin-1-yl)pyridine

4-chloro-3-(4-ethylpiperidin-1-yl)pyridine (PubChem CID 176552939) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-chloro-3-(4-ethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name4-chloro-3-(4-ethylpiperidin-1-yl)pyridine
PubChem CID176552939
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-chloro-3-(4-ethylpiperidin-1-yl)pyridine
SMILESCCC1CCN(c2cnccc2Cl)CC1
InChIInChI=1S/C12H17ClN2/c1-2-10-4-7-15(8-5-10)12-9-14-6-3-11(12)13/h3,6,9-10H,2,4-5,7-8H2,1H3
InChIKeySUOYHEVKIVJEQW-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-ethylpiperidin-1-yl)pyridine?
The IUPAC name of 4-chloro-3-(4-ethylpiperidin-1-yl)pyridine (CID 176552939) is 4-chloro-3-(4-ethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 4-chloro-3-(4-ethylpiperidin-1-yl)pyridine?
The canonical SMILES for 4-chloro-3-(4-ethylpiperidin-1-yl)pyridine is CCC1CCN(c2cnccc2Cl)CC1.
What is the InChIKey of 4-chloro-3-(4-ethylpiperidin-1-yl)pyridine?
The InChIKey is SUOYHEVKIVJEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-2-10-4-7-15(8-5-10)12-9-14-6-3-11(12)13/h3,6,9-10H,2,4-5,7-8H2,1H3.
What are the key properties of 4-chloro-3-(4-ethylpiperidin-1-yl)pyridine?
4-chloro-3-(4-ethylpiperidin-1-yl)pyridine has a molecular weight of 224.73 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-ethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 176552939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).