2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid

C15H30N2O2 — CID 21292205

IUPAC2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid
SMILESCC1CC(C)(C)NC(C)(C)C1.O=C(O)N1CCCC1
InChIInChI=1S/C10H21N.C5H9NO2/c1-8-6-9(2,3)11-10(4,5)7-8;7-5(8)6-3-1-2-4-6/h8,11H,6-7H2,1-5H3;1-4H2,(H,7,8)
InChIKeyHRDXXOLOXPPPCV-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.32
Rot. Bonds

About 2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid

2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid (PubChem CID 21292205) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid
PubChem CID21292205
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid
SMILESCC1CC(C)(C)NC(C)(C)C1.O=C(O)N1CCCC1
InChIInChI=1S/C10H21N.C5H9NO2/c1-8-6-9(2,3)11-10(4,5)7-8;7-5(8)6-3-1-2-4-6/h8,11H,6-7H2,1-5H3;1-4H2,(H,7,8)
InChIKeyHRDXXOLOXPPPCV-UHFFFAOYSA-N
XLogP3.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid?
The IUPAC name of 2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid (CID 21292205) is 2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid is CC1CC(C)(C)NC(C)(C)C1.O=C(O)N1CCCC1.
What is the InChIKey of 2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid?
The InChIKey is HRDXXOLOXPPPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C5H9NO2/c1-8-6-9(2,3)11-10(4,5)7-8;7-5(8)6-3-1-2-4-6/h8,11H,6-7H2,1-5H3;1-4H2,(H,7,8).
What are the key properties of 2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid?
2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid has a molecular weight of 270.42 g/mol, XLogP of 3.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,6-pentamethylpiperidine;pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 21292205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).