2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine

C13H22N2 — CID 1114020

IUPAC2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine
SMILESCC1(C)CC(n2cccc2)CC(C)(C)N1
InChIInChI=1S/C13H22N2/c1-12(2)9-11(10-13(3,4)14-12)15-7-5-6-8-15/h5-8,11,14H,9-10H2,1-4H3
InChIKeyFLEQDAPZJCJHDU-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.97
Rot. Bonds1

About 2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine

2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine (PubChem CID 1114020) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine
PubChem CID1114020
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine
SMILESCC1(C)CC(n2cccc2)CC(C)(C)N1
InChIInChI=1S/C13H22N2/c1-12(2)9-11(10-13(3,4)14-12)15-7-5-6-8-15/h5-8,11,14H,9-10H2,1-4H3
InChIKeyFLEQDAPZJCJHDU-UHFFFAOYSA-N
XLogP2.97
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine (CID 1114020) is 2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine is CC1(C)CC(n2cccc2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine?
The InChIKey is FLEQDAPZJCJHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(2)9-11(10-13(3,4)14-12)15-7-5-6-8-15/h5-8,11,14H,9-10H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine?
2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine has a molecular weight of 206.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-pyrrol-1-ylpiperidine is sourced from PubChem (CID 1114020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).