2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine

C13H23N — CID 143773329

IUPAC2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine
SMILESC=C/C(C)=C/CC1CC(C)NCC1C
InChIInChI=1S/C13H23N/c1-5-10(2)6-7-13-8-12(4)14-9-11(13)3/h5-6,11-14H,1,7-9H2,2-4H3/b10-6+
InChIKeyDKQJFHAGHRWYRX-UXBLZVDNSA-N
MW193.33 g/mol
LogP3.14
Rot. Bonds3

About 2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine

2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine (PubChem CID 143773329) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine.

Molecular Properties

Compound Name2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine
PubChem CID143773329
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine
SMILESC=C/C(C)=C/CC1CC(C)NCC1C
InChIInChI=1S/C13H23N/c1-5-10(2)6-7-13-8-12(4)14-9-11(13)3/h5-6,11-14H,1,7-9H2,2-4H3/b10-6+
InChIKeyDKQJFHAGHRWYRX-UXBLZVDNSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine
CID 138495595
ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dimethylpiperidine
CID 143178323
(1S,2R,3R)-2,3-dimethyl-2-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexan-1-ol
CID 101485697
3-methylpenta-2,4-dien-1-ol
CID 534959
2-methyl-4-(2-methylidenebut-3-enyl)azepane
CID 87132448
3-methylhepta-1,3,6-triene
CID 71444747
[(3S,5R)-5-methylpyrrolidin-3-yl]methanol
CID 68712143
[6-methyl-4-(2-methylpropyl)piperidin-3-yl]methanamine
CID 82602060
(5S,7R)-5,7-dimethyl-1,4-diazepane
CID 55288229
1-(5-methylpyrrolidin-3-yl)ethanone;propane
CID 142600137
3,6-dimethylhepta-1,3,6-triene
CID 123605214
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine?
The IUPAC name of 2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine (CID 143773329) is 2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine.
What is the SMILES notation for 2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine?
The canonical SMILES for 2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine is C=C/C(C)=C/CC1CC(C)NCC1C.
What is the InChIKey of 2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine?
The InChIKey is DKQJFHAGHRWYRX-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H23N/c1-5-10(2)6-7-13-8-12(4)14-9-11(13)3/h5-6,11-14H,1,7-9H2,2-4H3/b10-6+.
What are the key properties of 2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine?
2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine has a molecular weight of 193.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(2E)-3-methylpenta-2,4-dienyl]piperidine is sourced from PubChem (CID 143773329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).