1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine

C11H19N — CID 142290888

IUPAC1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine
SMILESC=CC(=C)N1CC(C)CCC1C
InChIInChI=1S/C11H19N/c1-5-10(3)12-8-9(2)6-7-11(12)4/h5,9,11H,1,3,6-8H2,2,4H3
InChIKeyUQAVMBLWTNVGDJ-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.81
Rot. Bonds2

About 1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine

1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine (PubChem CID 142290888) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine
PubChem CID142290888
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine
SMILESC=CC(=C)N1CC(C)CCC1C
InChIInChI=1S/C11H19N/c1-5-10(3)12-8-9(2)6-7-11(12)4/h5,9,11H,1,3,6-8H2,2,4H3
InChIKeyUQAVMBLWTNVGDJ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

(2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
CID 146361011
1-Buta-1,3-dien-2-yl-2,2-dimethylpiperidine
CID 53744545
(2S,5R)-2-ethenyl-1,5-dimethylpiperidine
CID 57699444
(2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine
CID 58034803
(3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 67965080
4-Methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 67965091
1-(6-Methylhept-1-en-3-yl)piperidine
CID 68382241
2,5-Dimethyl-1-prop-2-enylpiperidine
CID 76669295
3-Methyl-1-prop-1-en-2-ylpiperidine
CID 89336249
2-Propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 89390124
6-methyl-1-(4-methylpentyl)-2H-pyridine
CID 91378376
1-But-2-en-2-yl-3-methylpiperidine
CID 91561518

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine?
The IUPAC name of 1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine (CID 142290888) is 1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine is C=CC(=C)N1CC(C)CCC1C.
What is the InChIKey of 1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine?
The InChIKey is UQAVMBLWTNVGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-10(3)12-8-9(2)6-7-11(12)4/h5,9,11H,1,3,6-8H2,2,4H3.
What are the key properties of 1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine?
1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine has a molecular weight of 165.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-2,5-dimethylpiperidine is sourced from PubChem (CID 142290888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).