1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine

C12H23N — CID 58035278

IUPAC1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine
SMILESC=C(CC1CCN(C)CC1)C(C)C
InChIInChI=1S/C12H23N/c1-10(2)11(3)9-12-5-7-13(4)8-6-12/h10,12H,3,5-9H2,1-2,4H3
InChIKeyVUTKLUCSYSLJHF-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.93
Rot. Bonds3

About 1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine

1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine (PubChem CID 58035278) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine
PubChem CID58035278
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine
SMILESC=C(CC1CCN(C)CC1)C(C)C
InChIInChI=1S/C12H23N/c1-10(2)11(3)9-12-5-7-13(4)8-6-12/h10,12H,3,5-9H2,1-2,4H3
InChIKeyVUTKLUCSYSLJHF-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine?
The IUPAC name of 1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine (CID 58035278) is 1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine.
What is the SMILES notation for 1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine?
The canonical SMILES for 1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine is C=C(CC1CCN(C)CC1)C(C)C.
What is the InChIKey of 1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine?
The InChIKey is VUTKLUCSYSLJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)11(3)9-12-5-7-13(4)8-6-12/h10,12H,3,5-9H2,1-2,4H3.
What are the key properties of 1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine?
1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine has a molecular weight of 181.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methyl-2-methylidenebutyl)piperidine is sourced from PubChem (CID 58035278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).