2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine

C13H23N3 — CID 90928669

IUPAC2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine
SMILESC1=CC(C2(N3CCCC3)CCCCN2)NC1
InChIInChI=1S/C13H23N3/c1-2-9-15-13(7-1,12-6-5-8-14-12)16-10-3-4-11-16/h5-6,12,14-15H,1-4,7-11H2
InChIKeyCZVNWXJHUBFYNA-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.08
Rot. Bonds2

About 2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine

2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine (PubChem CID 90928669) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine
PubChem CID90928669
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine
SMILESC1=CC(C2(N3CCCC3)CCCCN2)NC1
InChIInChI=1S/C13H23N3/c1-2-9-15-13(7-1,12-6-5-8-14-12)16-10-3-4-11-16/h5-6,12,14-15H,1-4,7-11H2
InChIKeyCZVNWXJHUBFYNA-UHFFFAOYSA-N
XLogP1.08
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine?
The IUPAC name of 2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine (CID 90928669) is 2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine is C1=CC(C2(N3CCCC3)CCCCN2)NC1.
What is the InChIKey of 2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine?
The InChIKey is CZVNWXJHUBFYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-9-15-13(7-1,12-6-5-8-14-12)16-10-3-4-11-16/h5-6,12,14-15H,1-4,7-11H2.
What are the key properties of 2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine?
2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine has a molecular weight of 221.35 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 90928669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).