1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine

C15H29N3 — CID 81468220

IUPAC1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine
SMILESCC1CC(N2CCC(C3CCCN3)CC2)CN1C
InChIInChI=1S/C15H29N3/c1-12-10-14(11-17(12)2)18-8-5-13(6-9-18)15-4-3-7-16-15/h12-16H,3-11H2,1-2H3
InChIKeyXVZVQPGITQCVLI-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.54
Rot. Bonds2

About 1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine

1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine (PubChem CID 81468220) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine
PubChem CID81468220
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine
SMILESCC1CC(N2CCC(C3CCCN3)CC2)CN1C
InChIInChI=1S/C15H29N3/c1-12-10-14(11-17(12)2)18-8-5-13(6-9-18)15-4-3-7-16-15/h12-16H,3-11H2,1-2H3
InChIKeyXVZVQPGITQCVLI-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine (CID 81468220) is 1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine is CC1CC(N2CCC(C3CCCN3)CC2)CN1C.
What is the InChIKey of 1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine?
The InChIKey is XVZVQPGITQCVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12-10-14(11-17(12)2)18-8-5-13(6-9-18)15-4-3-7-16-15/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine?
1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine has a molecular weight of 251.42 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrrolidin-3-yl)-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 81468220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).