3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate

C13H26N2O2 — CID 69130789

IUPAC3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate
SMILESCC1(C)CC(CCCOC(N)=O)CC(C)(C)N1
InChIInChI=1S/C13H26N2O2/c1-12(2)8-10(9-13(3,4)15-12)6-5-7-17-11(14)16/h10,15H,5-9H2,1-4H3,(H2,14,16)
InChIKeyUWMBIZUBEHOBIX-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.42
Rot. Bonds4

About 3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate

3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate (PubChem CID 69130789) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate.

Molecular Properties

Compound Name3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate
PubChem CID69130789
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate
SMILESCC1(C)CC(CCCOC(N)=O)CC(C)(C)N1
InChIInChI=1S/C13H26N2O2/c1-12(2)8-10(9-13(3,4)15-12)6-5-7-17-11(14)16/h10,15H,5-9H2,1-4H3,(H2,14,16)
InChIKeyUWMBIZUBEHOBIX-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate?
The IUPAC name of 3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate (CID 69130789) is 3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate.
What is the SMILES notation for 3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate?
The canonical SMILES for 3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate is CC1(C)CC(CCCOC(N)=O)CC(C)(C)N1.
What is the InChIKey of 3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate?
The InChIKey is UWMBIZUBEHOBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2)8-10(9-13(3,4)15-12)6-5-7-17-11(14)16/h10,15H,5-9H2,1-4H3,(H2,14,16).
What are the key properties of 3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate?
3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl carbamate is sourced from PubChem (CID 69130789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).