3-(1-butan-2-ylpyrrolidin-2-yl)piperidine

C13H26N2 — CID 66272787

IUPAC3-(1-butan-2-ylpyrrolidin-2-yl)piperidine
SMILESCCC(C)N1CCCC1C1CCCNC1
InChIInChI=1S/C13H26N2/c1-3-11(2)15-9-5-7-13(15)12-6-4-8-14-10-12/h11-14H,3-10H2,1-2H3
InChIKeyZAOCNNLJCFTXTC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds3

About 3-(1-butan-2-ylpyrrolidin-2-yl)piperidine

3-(1-butan-2-ylpyrrolidin-2-yl)piperidine (PubChem CID 66272787) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-(1-butan-2-ylpyrrolidin-2-yl)piperidine.

Molecular Properties

Compound Name3-(1-butan-2-ylpyrrolidin-2-yl)piperidine
PubChem CID66272787
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-(1-butan-2-ylpyrrolidin-2-yl)piperidine
SMILESCCC(C)N1CCCC1C1CCCNC1
InChIInChI=1S/C13H26N2/c1-3-11(2)15-9-5-7-13(15)12-6-4-8-14-10-12/h11-14H,3-10H2,1-2H3
InChIKeyZAOCNNLJCFTXTC-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-butan-2-ylpyrrolidin-2-yl)piperidine?
The IUPAC name of 3-(1-butan-2-ylpyrrolidin-2-yl)piperidine (CID 66272787) is 3-(1-butan-2-ylpyrrolidin-2-yl)piperidine.
What is the SMILES notation for 3-(1-butan-2-ylpyrrolidin-2-yl)piperidine?
The canonical SMILES for 3-(1-butan-2-ylpyrrolidin-2-yl)piperidine is CCC(C)N1CCCC1C1CCCNC1.
What is the InChIKey of 3-(1-butan-2-ylpyrrolidin-2-yl)piperidine?
The InChIKey is ZAOCNNLJCFTXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-11(2)15-9-5-7-13(15)12-6-4-8-14-10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-(1-butan-2-ylpyrrolidin-2-yl)piperidine?
3-(1-butan-2-ylpyrrolidin-2-yl)piperidine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butan-2-ylpyrrolidin-2-yl)piperidine is sourced from PubChem (CID 66272787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).