2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine

C12H23N — CID 130634349

IUPAC2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine
SMILESCC(C)=CCN1CCC(C)CC1C
InChIInChI=1S/C12H23N/c1-10(2)5-7-13-8-6-11(3)9-12(13)4/h5,11-12H,6-9H2,1-4H3
InChIKeyXSXGAXRAQIOIET-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.07
Rot. Bonds2

About 2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine

2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine (PubChem CID 130634349) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine.

Molecular Properties

Compound Name2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine
PubChem CID130634349
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine
SMILESCC(C)=CCN1CCC(C)CC1C
InChIInChI=1S/C12H23N/c1-10(2)5-7-13-8-6-11(3)9-12(13)4/h5,11-12H,6-9H2,1-4H3
InChIKeyXSXGAXRAQIOIET-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine
CID 126995395
N-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 106191056
(2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine
CID 131246025
3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62331854
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
2,4-dimethyl-1-[(2-methylcyclopropyl)methyl]piperidine
CID 130718623
3-(2,4-dimethylpiperidin-1-yl)propanal
CID 63039619
2-amino-4-(2,4-dimethylpiperidin-1-yl)butan-1-ol
CID 64787601
3-amino-4-(2,4-dimethylpiperidin-1-yl)butan-1-ol
CID 64899218
1-(2,4-dimethylpiperidin-1-yl)butan-2-one
CID 62330875
2-amino-2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)propan-1-ol
CID 64786237
potassium (2,4-dimethylpiperidin-1-yl)methyl-trifluoroboranuide
CID 63703846

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine?
The IUPAC name of 2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine (CID 130634349) is 2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine.
What is the SMILES notation for 2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine?
The canonical SMILES for 2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine is CC(C)=CCN1CCC(C)CC1C.
What is the InChIKey of 2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine?
The InChIKey is XSXGAXRAQIOIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)5-7-13-8-6-11(3)9-12(13)4/h5,11-12H,6-9H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine?
2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine has a molecular weight of 181.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine is sourced from PubChem (CID 130634349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).