1-methyl-4-(2-methyloxiran-2-yl)piperidine

C9H17NO — CID 116864147

IUPAC1-methyl-4-(2-methyloxiran-2-yl)piperidine
SMILESCN1CCC(C2(C)CO2)CC1
InChIInChI=1S/C9H17NO/c1-9(7-11-9)8-3-5-10(2)6-4-8/h8H,3-7H2,1-2H3
InChIKeySKYRWGQELUTJJC-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds1

About 1-methyl-4-(2-methyloxiran-2-yl)piperidine

1-methyl-4-(2-methyloxiran-2-yl)piperidine (PubChem CID 116864147) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-methyl-4-(2-methyloxiran-2-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2-methyloxiran-2-yl)piperidine
PubChem CID116864147
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-methyl-4-(2-methyloxiran-2-yl)piperidine
SMILESCN1CCC(C2(C)CO2)CC1
InChIInChI=1S/C9H17NO/c1-9(7-11-9)8-3-5-10(2)6-4-8/h8H,3-7H2,1-2H3
InChIKeySKYRWGQELUTJJC-UHFFFAOYSA-N
XLogP1.12
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.12
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 1-methyl-4-(2-methyloxiran-2-yl)piperidine?
The IUPAC name of 1-methyl-4-(2-methyloxiran-2-yl)piperidine (CID 116864147) is 1-methyl-4-(2-methyloxiran-2-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(2-methyloxiran-2-yl)piperidine?
The canonical SMILES for 1-methyl-4-(2-methyloxiran-2-yl)piperidine is CN1CCC(C2(C)CO2)CC1.
What is the InChIKey of 1-methyl-4-(2-methyloxiran-2-yl)piperidine?
The InChIKey is SKYRWGQELUTJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(7-11-9)8-3-5-10(2)6-4-8/h8H,3-7H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methyloxiran-2-yl)piperidine?
1-methyl-4-(2-methyloxiran-2-yl)piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyloxiran-2-yl)piperidine is sourced from PubChem (CID 116864147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).