2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine

C25H46N2 — CID 59030126

IUPAC2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine
SMILESC=CCN1C(C)(C)CC(CC2CC(C)(C)N(CC=C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C25H46N2/c1-11-13-26-22(3,4)16-20(17-23(26,5)6)15-21-18-24(7,8)27(14-12-2)25(9,10)19-21/h11-12,20-21H,1-2,13-19H2,3-10H3
InChIKeyZBVCJXGUFJDFEZ-UHFFFAOYSA-N
MW374.66 g/mol
LogP6.29
Rot. Bonds6

About 2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine

2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine (PubChem CID 59030126) has the molecular formula C25H46N2 and a molecular weight of 374.66 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine
PubChem CID59030126
Molecular FormulaC25H46N2
Molecular Weight374.66 g/mol
Exact Mass374.37
IUPAC Name2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine
SMILESC=CCN1C(C)(C)CC(CC2CC(C)(C)N(CC=C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C25H46N2/c1-11-13-26-22(3,4)16-20(17-23(26,5)6)15-21-18-24(7,8)27(14-12-2)25(9,10)19-21/h11-12,20-21H,1-2,13-19H2,3-10H3
InChIKeyZBVCJXGUFJDFEZ-UHFFFAOYSA-N
XLogP6.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 56.29
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 2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of 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) is 2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine is C=CCN1C(C)(C)CC(CC2CC(C)(C)N(CC=C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine?
The InChIKey is ZBVCJXGUFJDFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2/c1-11-13-26-22(3,4)16-20(17-23(26,5)6)15-21-18-24(7,8)27(14-12-2)25(9,10)19-21/h11-12,20-21H,1-2,13-19H2,3-10H3.
What are the key properties of 2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine?
2,2,6,6-tetramethyl-1-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine has a molecular weight of 374.66 g/mol, XLogP of 6.29, 6 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-prop-2-enyl-4-[(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 59030126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).