3-methoxy-3-methyl-1-pent-4-ynylpiperidine

C12H21NO — CID 107394439

IUPAC3-methoxy-3-methyl-1-pent-4-ynylpiperidine
SMILESC#CCCCN1CCCC(C)(OC)C1
InChIInChI=1S/C12H21NO/c1-4-5-6-9-13-10-7-8-12(2,11-13)14-3/h1H,5-11H2,2-3H3
InChIKeyPVMUWFVAAUTKPB-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.90
Rot. Bonds4

About 3-methoxy-3-methyl-1-pent-4-ynylpiperidine

3-methoxy-3-methyl-1-pent-4-ynylpiperidine (PubChem CID 107394439) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-pent-4-ynylpiperidine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-pent-4-ynylpiperidine
PubChem CID107394439
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-methoxy-3-methyl-1-pent-4-ynylpiperidine
SMILESC#CCCCN1CCCC(C)(OC)C1
InChIInChI=1S/C12H21NO/c1-4-5-6-9-13-10-7-8-12(2,11-13)14-3/h1H,5-11H2,2-3H3
InChIKeyPVMUWFVAAUTKPB-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-pent-4-ynylpiperidine?
The IUPAC name of 3-methoxy-3-methyl-1-pent-4-ynylpiperidine (CID 107394439) is 3-methoxy-3-methyl-1-pent-4-ynylpiperidine.
What is the SMILES notation for 3-methoxy-3-methyl-1-pent-4-ynylpiperidine?
The canonical SMILES for 3-methoxy-3-methyl-1-pent-4-ynylpiperidine is C#CCCCN1CCCC(C)(OC)C1.
What is the InChIKey of 3-methoxy-3-methyl-1-pent-4-ynylpiperidine?
The InChIKey is PVMUWFVAAUTKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-5-6-9-13-10-7-8-12(2,11-13)14-3/h1H,5-11H2,2-3H3.
What are the key properties of 3-methoxy-3-methyl-1-pent-4-ynylpiperidine?
3-methoxy-3-methyl-1-pent-4-ynylpiperidine has a molecular weight of 195.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-pent-4-ynylpiperidine is sourced from PubChem (CID 107394439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).