1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine

C23H44N2 — CID 21401046

IUPAC1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine
SMILESCCCCN1C(C)(C)CC(=C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C23H44N2/c1-11-12-13-25-22(6,7)16-19(17-23(25,8)9)18-14-20(2,3)24(10)21(4,5)15-18/h11-17H2,1-10H3
InChIKeyGGNGCIFPTWNGQJ-UHFFFAOYSA-N
MW348.62 g/mol
LogP6.02
Rot. Bonds3

About 1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine

1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine (PubChem CID 21401046) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine.

Molecular Properties

Compound Name1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine
PubChem CID21401046
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine
SMILESCCCCN1C(C)(C)CC(=C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C23H44N2/c1-11-12-13-25-22(6,7)16-19(17-23(25,8)9)18-14-20(2,3)24(10)21(4,5)15-18/h11-17H2,1-10H3
InChIKeyGGNGCIFPTWNGQJ-UHFFFAOYSA-N
XLogP6.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine?
The IUPAC name of 1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine (CID 21401046) is 1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine.
What is the SMILES notation for 1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine?
The canonical SMILES for 1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine is CCCCN1C(C)(C)CC(=C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine?
The InChIKey is GGNGCIFPTWNGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2/c1-11-12-13-25-22(6,7)16-19(17-23(25,8)9)18-14-20(2,3)24(10)21(4,5)15-18/h11-17H2,1-10H3.
What are the key properties of 1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine?
1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine has a molecular weight of 348.62 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,2,6,6-tetramethyl-4-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)piperidine is sourced from PubChem (CID 21401046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).