4-pyrrolidin-1-ylpyridine

C18H24N4 — CID 158456628

IUPAC4-pyrrolidin-1-ylpyridine
SMILESc1cc(N2CCCC2)ccn1.c1cc(N2CCCC2)ccn1
InChIInChI=1S/2C9H12N2/c2*1-2-8-11(7-1)9-3-5-10-6-4-9/h2*3-6H,1-2,7-8H2
InChIKeyHEQLZAFBCYTBSL-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.36
Rot. Bonds2

About 4-pyrrolidin-1-ylpyridine

4-pyrrolidin-1-ylpyridine (PubChem CID 158456628) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name4-pyrrolidin-1-ylpyridine
PubChem CID158456628
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-pyrrolidin-1-ylpyridine
SMILESc1cc(N2CCCC2)ccn1.c1cc(N2CCCC2)ccn1
InChIInChI=1S/2C9H12N2/c2*1-2-8-11(7-1)9-3-5-10-6-4-9/h2*3-6H,1-2,7-8H2
InChIKeyHEQLZAFBCYTBSL-UHFFFAOYSA-N
XLogP3.36
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylpyridine?
The IUPAC name of 4-pyrrolidin-1-ylpyridine (CID 158456628) is 4-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 4-pyrrolidin-1-ylpyridine?
The canonical SMILES for 4-pyrrolidin-1-ylpyridine is c1cc(N2CCCC2)ccn1.c1cc(N2CCCC2)ccn1.
What is the InChIKey of 4-pyrrolidin-1-ylpyridine?
The InChIKey is HEQLZAFBCYTBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12N2/c2*1-2-8-11(7-1)9-3-5-10-6-4-9/h2*3-6H,1-2,7-8H2.
What are the key properties of 4-pyrrolidin-1-ylpyridine?
4-pyrrolidin-1-ylpyridine has a molecular weight of 296.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 158456628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).