2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine

C16H29N — CID 130284664

IUPAC2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine
SMILESC=C/C(=C\N1CC(C)C(C)C(C)C1C)C(C)C
InChIInChI=1S/C16H29N/c1-8-16(11(2)3)10-17-9-12(4)13(5)14(6)15(17)7/h8,10-15H,1,9H2,2-7H3/b16-10+
InChIKeyOUDXSQNUDOOPQO-MHWRWJLKSA-N
MW235.41 g/mol
LogP4.32
Rot. Bonds3

About 2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine

2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine (PubChem CID 130284664) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine
PubChem CID130284664
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine
SMILESC=C/C(=C\N1CC(C)C(C)C(C)C1C)C(C)C
InChIInChI=1S/C16H29N/c1-8-16(11(2)3)10-17-9-12(4)13(5)14(6)15(17)7/h8,10-15H,1,9H2,2-7H3/b16-10+
InChIKeyOUDXSQNUDOOPQO-MHWRWJLKSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine?
The IUPAC name of 2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine (CID 130284664) is 2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine.
What is the SMILES notation for 2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine?
The canonical SMILES for 2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine is C=C/C(=C\N1CC(C)C(C)C(C)C1C)C(C)C.
What is the InChIKey of 2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine?
The InChIKey is OUDXSQNUDOOPQO-MHWRWJLKSA-N. The full InChI is InChI=1S/C16H29N/c1-8-16(11(2)3)10-17-9-12(4)13(5)14(6)15(17)7/h8,10-15H,1,9H2,2-7H3/b16-10+.
What are the key properties of 2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine?
2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine has a molecular weight of 235.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine is sourced from PubChem (CID 130284664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).