3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine

C11H19N — CID 155266972

IUPAC3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine
SMILESC=CC(=C)C1CN(C)CCC1C
InChIInChI=1S/C11H19N/c1-5-9(2)11-8-12(4)7-6-10(11)3/h5,10-11H,1-2,6-8H2,3-4H3
InChIKeyHTCSUYDPTCSAIB-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.32
Rot. Bonds2

About 3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine

3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine (PubChem CID 155266972) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine.

Molecular Properties

Compound Name3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine
PubChem CID155266972
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine
SMILESC=CC(=C)C1CN(C)CCC1C
InChIInChI=1S/C11H19N/c1-5-9(2)11-8-12(4)7-6-10(11)3/h5,10-11H,1-2,6-8H2,3-4H3
InChIKeyHTCSUYDPTCSAIB-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.32
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 3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine?
The IUPAC name of 3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine (CID 155266972) is 3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine.
What is the SMILES notation for 3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine?
The canonical SMILES for 3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine is C=CC(=C)C1CN(C)CCC1C.
What is the InChIKey of 3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine?
The InChIKey is HTCSUYDPTCSAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-9(2)11-8-12(4)7-6-10(11)3/h5,10-11H,1-2,6-8H2,3-4H3.
What are the key properties of 3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine?
3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine has a molecular weight of 165.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-buta-1,3-dien-2-yl-1,4-dimethylpiperidine is sourced from PubChem (CID 155266972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).