1-but-3-en-2-yl-4-methoxy-4-methylpiperidine

C11H21NO — CID 126988728

IUPAC1-but-3-en-2-yl-4-methoxy-4-methylpiperidine
SMILESC=CC(C)N1CCC(C)(OC)CC1
InChIInChI=1S/C11H21NO/c1-5-10(2)12-8-6-11(3,13-4)7-9-12/h5,10H,1,6-9H2,2-4H3
InChIKeyWIALUOYDTQBXFC-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.06
Rot. Bonds3

About 1-but-3-en-2-yl-4-methoxy-4-methylpiperidine

1-but-3-en-2-yl-4-methoxy-4-methylpiperidine (PubChem CID 126988728) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-but-3-en-2-yl-4-methoxy-4-methylpiperidine.

Molecular Properties

Compound Name1-but-3-en-2-yl-4-methoxy-4-methylpiperidine
PubChem CID126988728
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-but-3-en-2-yl-4-methoxy-4-methylpiperidine
SMILESC=CC(C)N1CCC(C)(OC)CC1
InChIInChI=1S/C11H21NO/c1-5-10(2)12-8-6-11(3,13-4)7-9-12/h5,10H,1,6-9H2,2-4H3
InChIKeyWIALUOYDTQBXFC-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-but-3-en-2-yl-4-methoxy-4-methylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

1-but-3-en-2-yl-4-methylpiperidin-4-ol
CID 80702409
1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine
CID 174254467
1-but-3-en-2-yl-4-ethyl-4-methylpiperidine
CID 130841239
(1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol
CID 127000307
1-but-3-en-2-yl-4-methylpiperidine-4-carboxylic acid
CID 63124469
1-but-3-en-2-yl-3,3-difluoropyrrolidine
CID 130736637
1,4-dimethoxy-4-methylpiperidine
CID 91124438
6-but-3-en-2-yl-6-azaspiro[3.5]nonane
CID 130905971
1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide
CID 126979743
1-(iodomethyl)-4-methoxy-4-methylpiperidine
CID 166768367
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350
1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine
CID 130590962

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-4-methoxy-4-methylpiperidine?
The IUPAC name of 1-but-3-en-2-yl-4-methoxy-4-methylpiperidine (CID 126988728) is 1-but-3-en-2-yl-4-methoxy-4-methylpiperidine.
What is the SMILES notation for 1-but-3-en-2-yl-4-methoxy-4-methylpiperidine?
The canonical SMILES for 1-but-3-en-2-yl-4-methoxy-4-methylpiperidine is C=CC(C)N1CCC(C)(OC)CC1.
What is the InChIKey of 1-but-3-en-2-yl-4-methoxy-4-methylpiperidine?
The InChIKey is WIALUOYDTQBXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-10(2)12-8-6-11(3,13-4)7-9-12/h5,10H,1,6-9H2,2-4H3.
What are the key properties of 1-but-3-en-2-yl-4-methoxy-4-methylpiperidine?
1-but-3-en-2-yl-4-methoxy-4-methylpiperidine has a molecular weight of 183.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-4-methoxy-4-methylpiperidine is sourced from PubChem (CID 126988728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).