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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Related Compounds

(3S)-1-(2,2-dimethylpropyl)-3-fluoro-3-prop-2-enylpiperidine
CID 135010029
1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
4-Ethenyl-1-methylpiperidine
CID 10154055
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
3-Fluoro-1-methyl-3-prop-2-enylpiperidine
CID 129044070
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242
4-(5-Fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
CID 134365582
3-Ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine
CID 154670049
(3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine
CID 156796843
(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine
CID 176568518
3-Fluoro-1-methyl-3-prop-1-en-2-ylpiperidine
CID 177187453
3-Ethenyl-1-propan-2-ylpiperidine
CID 15365434

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).