5-chloro-2-(4-ethylpiperidin-4-yl)pyridine

C12H17ClN2 — CID 138614315

IUPAC5-chloro-2-(4-ethylpiperidin-4-yl)pyridine
SMILESCCC1(c2ccc(Cl)cn2)CCNCC1
InChIInChI=1S/C12H17ClN2/c1-2-12(5-7-14-8-6-12)11-4-3-10(13)9-15-11/h3-4,9,14H,2,5-8H2,1H3
InChIKeyKJOULYPZUBCDOZ-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.77
Rot. Bonds2

About 5-chloro-2-(4-ethylpiperidin-4-yl)pyridine

5-chloro-2-(4-ethylpiperidin-4-yl)pyridine (PubChem CID 138614315) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 5-chloro-2-(4-ethylpiperidin-4-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(4-ethylpiperidin-4-yl)pyridine
PubChem CID138614315
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name5-chloro-2-(4-ethylpiperidin-4-yl)pyridine
SMILESCCC1(c2ccc(Cl)cn2)CCNCC1
InChIInChI=1S/C12H17ClN2/c1-2-12(5-7-14-8-6-12)11-4-3-10(13)9-15-11/h3-4,9,14H,2,5-8H2,1H3
InChIKeyKJOULYPZUBCDOZ-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-ethylpiperidin-4-yl)pyridine?
The IUPAC name of 5-chloro-2-(4-ethylpiperidin-4-yl)pyridine (CID 138614315) is 5-chloro-2-(4-ethylpiperidin-4-yl)pyridine.
What is the SMILES notation for 5-chloro-2-(4-ethylpiperidin-4-yl)pyridine?
The canonical SMILES for 5-chloro-2-(4-ethylpiperidin-4-yl)pyridine is CCC1(c2ccc(Cl)cn2)CCNCC1.
What is the InChIKey of 5-chloro-2-(4-ethylpiperidin-4-yl)pyridine?
The InChIKey is KJOULYPZUBCDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-2-12(5-7-14-8-6-12)11-4-3-10(13)9-15-11/h3-4,9,14H,2,5-8H2,1H3.
What are the key properties of 5-chloro-2-(4-ethylpiperidin-4-yl)pyridine?
5-chloro-2-(4-ethylpiperidin-4-yl)pyridine has a molecular weight of 224.73 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-ethylpiperidin-4-yl)pyridine is sourced from PubChem (CID 138614315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).