4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine

C10H19NO — CID 143263379

IUPAC4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine
SMILESC=C(C)OCN1CCC(C)CC1
InChIInChI=1S/C10H19NO/c1-9(2)12-8-11-6-4-10(3)5-7-11/h10H,1,4-8H2,2-3H3
InChIKeyGRJXXJGRNDOWGS-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.23
Rot. Bonds3

About 4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine

4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine (PubChem CID 143263379) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine
PubChem CID143263379
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine
SMILESC=C(C)OCN1CCC(C)CC1
InChIInChI=1S/C10H19NO/c1-9(2)12-8-11-6-4-10(3)5-7-11/h10H,1,4-8H2,2-3H3
InChIKeyGRJXXJGRNDOWGS-UHFFFAOYSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine?
The IUPAC name of 4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine (CID 143263379) is 4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine.
What is the SMILES notation for 4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine?
The canonical SMILES for 4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine is C=C(C)OCN1CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine?
The InChIKey is GRJXXJGRNDOWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)12-8-11-6-4-10(3)5-7-11/h10H,1,4-8H2,2-3H3.
What are the key properties of 4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine?
4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine has a molecular weight of 169.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(prop-1-en-2-yloxymethyl)piperidine is sourced from PubChem (CID 143263379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).