4-tert-butyl-1-pyrrolidin-3-ylpiperidine

C13H26N2 — CID 62328638

IUPAC4-tert-butyl-1-pyrrolidin-3-ylpiperidine
SMILESCC(C)(C)C1CCN(C2CCNC2)CC1
InChIInChI=1S/C13H26N2/c1-13(2,3)11-5-8-15(9-6-11)12-4-7-14-10-12/h11-12,14H,4-10H2,1-3H3
InChIKeyJJVWUGYJYMBKGD-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds1

About 4-tert-butyl-1-pyrrolidin-3-ylpiperidine

4-tert-butyl-1-pyrrolidin-3-ylpiperidine (PubChem CID 62328638) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-tert-butyl-1-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-pyrrolidin-3-ylpiperidine
PubChem CID62328638
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-tert-butyl-1-pyrrolidin-3-ylpiperidine
SMILESCC(C)(C)C1CCN(C2CCNC2)CC1
InChIInChI=1S/C13H26N2/c1-13(2,3)11-5-8-15(9-6-11)12-4-7-14-10-12/h11-12,14H,4-10H2,1-3H3
InChIKeyJJVWUGYJYMBKGD-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-pyrrolidin-3-ylpiperidine?
The IUPAC name of 4-tert-butyl-1-pyrrolidin-3-ylpiperidine (CID 62328638) is 4-tert-butyl-1-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 4-tert-butyl-1-pyrrolidin-3-ylpiperidine is CC(C)(C)C1CCN(C2CCNC2)CC1.
What is the InChIKey of 4-tert-butyl-1-pyrrolidin-3-ylpiperidine?
The InChIKey is JJVWUGYJYMBKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2,3)11-5-8-15(9-6-11)12-4-7-14-10-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 4-tert-butyl-1-pyrrolidin-3-ylpiperidine?
4-tert-butyl-1-pyrrolidin-3-ylpiperidine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 62328638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).