1-methyl-4-(3-methylidenepent-4-enyl)piperidine

C12H21N — CID 90407429

IUPAC1-methyl-4-(3-methylidenepent-4-enyl)piperidine
SMILESC=CC(=C)CCC1CCN(C)CC1
InChIInChI=1S/C12H21N/c1-4-11(2)5-6-12-7-9-13(3)10-8-12/h4,12H,1-2,5-10H2,3H3
InChIKeyFFFPUSZCWXPWDY-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.85
Rot. Bonds4

About 1-methyl-4-(3-methylidenepent-4-enyl)piperidine

1-methyl-4-(3-methylidenepent-4-enyl)piperidine (PubChem CID 90407429) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-methyl-4-(3-methylidenepent-4-enyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(3-methylidenepent-4-enyl)piperidine
PubChem CID90407429
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-methyl-4-(3-methylidenepent-4-enyl)piperidine
SMILESC=CC(=C)CCC1CCN(C)CC1
InChIInChI=1S/C12H21N/c1-4-11(2)5-6-12-7-9-13(3)10-8-12/h4,12H,1-2,5-10H2,3H3
InChIKeyFFFPUSZCWXPWDY-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylidenepent-4-enyl)piperidine?
The IUPAC name of 1-methyl-4-(3-methylidenepent-4-enyl)piperidine (CID 90407429) is 1-methyl-4-(3-methylidenepent-4-enyl)piperidine.
What is the SMILES notation for 1-methyl-4-(3-methylidenepent-4-enyl)piperidine?
The canonical SMILES for 1-methyl-4-(3-methylidenepent-4-enyl)piperidine is C=CC(=C)CCC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(3-methylidenepent-4-enyl)piperidine?
The InChIKey is FFFPUSZCWXPWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-11(2)5-6-12-7-9-13(3)10-8-12/h4,12H,1-2,5-10H2,3H3.
What are the key properties of 1-methyl-4-(3-methylidenepent-4-enyl)piperidine?
1-methyl-4-(3-methylidenepent-4-enyl)piperidine has a molecular weight of 179.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylidenepent-4-enyl)piperidine is sourced from PubChem (CID 90407429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).