2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine

C15H23N3 — CID 163230195

IUPAC2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine
SMILESCN1CCC(c2cc(N3CCCC3)ccn2)CC1
InChIInChI=1S/C15H23N3/c1-17-10-5-13(6-11-17)15-12-14(4-7-16-15)18-8-2-3-9-18/h4,7,12-13H,2-3,5-6,8-11H2,1H3
InChIKeyGBHFVWQDFPKRAK-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.49
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine

2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine (PubChem CID 163230195) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine
PubChem CID163230195
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine
SMILESCN1CCC(c2cc(N3CCCC3)ccn2)CC1
InChIInChI=1S/C15H23N3/c1-17-10-5-13(6-11-17)15-12-14(4-7-16-15)18-8-2-3-9-18/h4,7,12-13H,2-3,5-6,8-11H2,1H3
InChIKeyGBHFVWQDFPKRAK-UHFFFAOYSA-N
XLogP2.49
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine (CID 163230195) is 2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine is CN1CCC(c2cc(N3CCCC3)ccn2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine?
The InChIKey is GBHFVWQDFPKRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-10-5-13(6-11-17)15-12-14(4-7-16-15)18-8-2-3-9-18/h4,7,12-13H,2-3,5-6,8-11H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine?
2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine has a molecular weight of 245.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 163230195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).