2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine

C24H46N2 — CID 20689832

IUPAC2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine
SMILESCC1CC(C)(C)N(C/C=C/CN2C(C)(C)CC(C)CC2(C)C)C(C)(C)C1
InChIInChI=1S/C24H46N2/c1-19-15-21(3,4)25(22(5,6)16-19)13-11-12-14-26-23(7,8)17-20(2)18-24(26,9)10/h11-12,19-20H,13-18H2,1-10H3/b12-11+
InChIKeyUSQMOIUFOGKNSI-VAWYXSNFSA-N
MW362.65 g/mol
LogP6.12
Rot. Bonds4

About 2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine

2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine (PubChem CID 20689832) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine.

Molecular Properties

Compound Name2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine
PubChem CID20689832
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine
SMILESCC1CC(C)(C)N(C/C=C/CN2C(C)(C)CC(C)CC2(C)C)C(C)(C)C1
InChIInChI=1S/C24H46N2/c1-19-15-21(3,4)25(22(5,6)16-19)13-11-12-14-26-23(7,8)17-20(2)18-24(26,9)10/h11-12,19-20H,13-18H2,1-10H3/b12-11+
InChIKeyUSQMOIUFOGKNSI-VAWYXSNFSA-N
XLogP6.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine
CID 21245385
2,2,4,6,6-Pentamethyl-1-prop-2-enylpiperidine
CID 21292142
3-Ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine
CID 22754561
2,2,4,6,6-Pentamethyl-1-[4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine
CID 53860409
1-But-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine
CID 54009064
2,2,6,6-Tetramethyl-1-[4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine
CID 54123352
2,2,6,6-Tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine
CID 59030126
4-[[1,1-Bis(2-methylprop-2-enyl)piperidin-1-ium-4-yl]methyl]-1,1-bis(2-methylprop-2-enyl)piperidin-1-ium
CID 59110828
4,4'-(Propane-1,3-diyl)bis[1-(prop-2-en-1-yl)piperidine]
CID 59110835
4-[3-[1,1-Bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium
CID 59110842
2,2,6,6-Tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine
CID 67959134
4-[3-[1,1-Bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium dichloride
CID 85799274

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine?
The IUPAC name of 2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine (CID 20689832) is 2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine.
What is the SMILES notation for 2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine?
The canonical SMILES for 2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine is CC1CC(C)(C)N(C/C=C/CN2C(C)(C)CC(C)CC2(C)C)C(C)(C)C1.
What is the InChIKey of 2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine?
The InChIKey is USQMOIUFOGKNSI-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H46N2/c1-19-15-21(3,4)25(22(5,6)16-19)13-11-12-14-26-23(7,8)17-20(2)18-24(26,9)10/h11-12,19-20H,13-18H2,1-10H3/b12-11+.
What are the key properties of 2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine?
2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine has a molecular weight of 362.65 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine is sourced from PubChem (CID 20689832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).