2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine

C10H19NO — CID 126975139

IUPAC2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
SMILESCC1CCCN(C[C@@H]2CO2)C1C
InChIInChI=1S/C10H19NO/c1-8-4-3-5-11(9(8)2)6-10-7-12-10/h8-10H,3-7H2,1-2H3/t8?,9?,10-/m1/s1
InChIKeyXLMSHIILYQCZHE-UDNWOFFPSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds2

About 2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine

2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine (PubChem CID 126975139) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine.

Molecular Properties

Compound Name2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
PubChem CID126975139
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
SMILESCC1CCCN(C[C@@H]2CO2)C1C
InChIInChI=1S/C10H19NO/c1-8-4-3-5-11(9(8)2)6-10-7-12-10/h8-10H,3-7H2,1-2H3/t8?,9?,10-/m1/s1
InChIKeyXLMSHIILYQCZHE-UDNWOFFPSA-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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Related Compounds

[5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62412121
[1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 61407709
(2R,3S)-2,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 152872015
2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 62617026
5-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866962
1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine
CID 65457048
6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852279
3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62256698
4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine
CID 77110314
3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62272069
4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
CID 40505250
1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495572

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine?
The IUPAC name of 2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine (CID 126975139) is 2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine.
What is the SMILES notation for 2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine?
The canonical SMILES for 2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine is CC1CCCN(C[C@@H]2CO2)C1C.
What is the InChIKey of 2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine?
The InChIKey is XLMSHIILYQCZHE-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-4-3-5-11(9(8)2)6-10-7-12-10/h8-10H,3-7H2,1-2H3/t8?,9?,10-/m1/s1.
What are the key properties of 2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine?
2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]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 2,3-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine is sourced from PubChem (CID 126975139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).