2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine

C26H51N — CID 139402318

IUPAC2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine
SMILESC=C(C)C1(CCCCCCCCCCCCCC)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H51N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-26(23(2)3)21-24(4,5)27-25(6,7)22-26/h27H,2,8-22H2,1,3-7H3
InChIKeyVAZDMCBXNPMQAQ-UHFFFAOYSA-N
MW377.70 g/mol
LogP8.58
Rot. Bonds14

About 2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine

2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine (PubChem CID 139402318) has the molecular formula C26H51N and a molecular weight of 377.70 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine
PubChem CID139402318
Molecular FormulaC26H51N
Molecular Weight377.70 g/mol
Exact Mass377.40
IUPAC Name2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine
SMILESC=C(C)C1(CCCCCCCCCCCCCC)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H51N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-26(23(2)3)21-24(4,5)27-25(6,7)22-26/h27H,2,8-22H2,1,3-7H3
InChIKeyVAZDMCBXNPMQAQ-UHFFFAOYSA-N
XLogP8.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.70
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine (CID 139402318) is 2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine is C=C(C)C1(CCCCCCCCCCCCCC)CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine?
The InChIKey is VAZDMCBXNPMQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-26(23(2)3)21-24(4,5)27-25(6,7)22-26/h27H,2,8-22H2,1,3-7H3.
What are the key properties of 2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine?
2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine has a molecular weight of 377.70 g/mol, XLogP of 8.58, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-prop-1-en-2-yl-4-tetradecylpiperidine is sourced from PubChem (CID 139402318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).