4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine

C12H21NO — CID 142999629

IUPAC4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
SMILESC=C(/C=C\C)CN1CCC(OC)CC1
InChIInChI=1S/C12H21NO/c1-4-5-11(2)10-13-8-6-12(14-3)7-9-13/h4-5,12H,2,6-10H2,1,3H3/b5-4-
InChIKeySHOIWMLYXHGLCE-PLNGDYQASA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds4

About 4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine

4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine (PubChem CID 142999629) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
PubChem CID142999629
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
SMILESC=C(/C=C\C)CN1CCC(OC)CC1
InChIInChI=1S/C12H21NO/c1-4-5-11(2)10-13-8-6-12(14-3)7-9-13/h4-5,12H,2,6-10H2,1,3H3/b5-4-
InChIKeySHOIWMLYXHGLCE-PLNGDYQASA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]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 4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine?
The IUPAC name of 4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine (CID 142999629) is 4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine.
What is the SMILES notation for 4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine?
The canonical SMILES for 4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine is C=C(/C=C\C)CN1CCC(OC)CC1.
What is the InChIKey of 4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine?
The InChIKey is SHOIWMLYXHGLCE-PLNGDYQASA-N. The full InChI is InChI=1S/C12H21NO/c1-4-5-11(2)10-13-8-6-12(14-3)7-9-13/h4-5,12H,2,6-10H2,1,3H3/b5-4-.
What are the key properties of 4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine?
4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine has a molecular weight of 195.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine is sourced from PubChem (CID 142999629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).