4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine

C10H19NO — CID 18435018

IUPAC4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine
SMILESCC1(C)CCN(CC2CO2)CC1
InChIInChI=1S/C10H19NO/c1-10(2)3-5-11(6-4-10)7-9-8-12-9/h9H,3-8H2,1-2H3
InChIKeyICLNIMDZDAECIL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds2

About 4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine

4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine (PubChem CID 18435018) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine
PubChem CID18435018
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine
SMILESCC1(C)CCN(CC2CO2)CC1
InChIInChI=1S/C10H19NO/c1-10(2)3-5-11(6-4-10)7-9-8-12-9/h9H,3-8H2,1-2H3
InChIKeyICLNIMDZDAECIL-UHFFFAOYSA-N
XLogP1.51
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine?
The IUPAC name of 4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine (CID 18435018) is 4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine.
What is the SMILES notation for 4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine?
The canonical SMILES for 4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine is CC1(C)CCN(CC2CO2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine?
The InChIKey is ICLNIMDZDAECIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2)3-5-11(6-4-10)7-9-8-12-9/h9H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine?
4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine has a molecular weight of 169.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(oxiran-2-ylmethyl)piperidine is sourced from PubChem (CID 18435018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).