2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine

C22H42N2 — CID 21245385

IUPAC2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine
SMILESCC1(C)CCCC(C)(C)N1C/C=C/CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C22H42N2/c1-19(2)13-11-14-20(3,4)23(19)17-9-10-18-24-21(5,6)15-12-16-22(24,7)8/h9-10H,11-18H2,1-8H3/b10-9+
InChIKeyNPGMRAKLNOUHHI-MDZDMXLPSA-N
MW334.59 g/mol
LogP5.63
Rot. Bonds4

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

2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine (PubChem CID 21245385) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine
PubChem CID21245385
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine
SMILESCC1(C)CCCC(C)(C)N1C/C=C/CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C22H42N2/c1-19(2)13-11-14-20(3,4)23(19)17-9-10-18-24-21(5,6)15-12-16-22(24,7)8/h9-10H,11-18H2,1-8H3/b10-9+
InChIKeyNPGMRAKLNOUHHI-MDZDMXLPSA-N
XLogP5.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 55.63
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-[(1E,7E)-8-(2,2,6,6-tetramethylpiperidin-1-yl)octa-1,7-dienyl]piperidine
CID 101736323
2,2,6,6-tetramethyl-N-prop-2-enyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine
CID 18619906
2,2,6,6-Tetramethyl-1-prop-2-enylpiperidine
CID 19606683
2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine
CID 20689832
1-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidine
CID 21517320
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-2,2,6,6-tetramethylpiperidine
CID 53934221
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
4,4'-(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

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine (CID 21245385) is 2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine is CC1(C)CCCC(C)(C)N1C/C=C/CN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine?
The InChIKey is NPGMRAKLNOUHHI-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H42N2/c1-19(2)13-11-14-20(3,4)23(19)17-9-10-18-24-21(5,6)15-12-16-22(24,7)8/h9-10H,11-18H2,1-8H3/b10-9+.
What are the key properties of 2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine?
2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine has a molecular weight of 334.59 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine is sourced from PubChem (CID 21245385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).