1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine

C26H48N2O — CID 70487055

IUPAC1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine
SMILESCN1C(C)(C)CC(C=CCOCC=CC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H48N2O/c1-23(2)17-21(18-24(3,4)27(23)9)13-11-15-29-16-12-14-22-19-25(5,6)28(10)26(7,8)20-22/h11-14,21-22H,15-20H2,1-10H3
InChIKeyBLIUCHAZEDMNFB-UHFFFAOYSA-N
MW404.68 g/mol
LogP5.91
Rot. Bonds6

About 1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine

1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine (PubChem CID 70487055) has the molecular formula C26H48N2O and a molecular weight of 404.68 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine
PubChem CID70487055
Molecular FormulaC26H48N2O
Molecular Weight404.68 g/mol
Exact Mass404.38
IUPAC Name1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine
SMILESCN1C(C)(C)CC(C=CCOCC=CC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H48N2O/c1-23(2)17-21(18-24(3,4)27(23)9)13-11-15-29-16-12-14-22-19-25(5,6)28(10)26(7,8)20-22/h11-14,21-22H,15-20H2,1-10H3
InChIKeyBLIUCHAZEDMNFB-UHFFFAOYSA-N
XLogP5.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine (CID 70487055) is 1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine is CN1C(C)(C)CC(C=CCOCC=CC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine?
The InChIKey is BLIUCHAZEDMNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O/c1-23(2)17-21(18-24(3,4)27(23)9)13-11-15-29-16-12-14-22-19-25(5,6)28(10)26(7,8)20-22/h11-14,21-22H,15-20H2,1-10H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine?
1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine has a molecular weight of 404.68 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine is sourced from PubChem (CID 70487055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).