4-methyl-1-(oxiran-2-ylmethyl)piperidine

C9H17NO — CID 13313618

IUPAC4-methyl-1-(oxiran-2-ylmethyl)piperidine
SMILESCC1CCN(CC2CO2)CC1
InChIInChI=1S/C9H17NO/c1-8-2-4-10(5-3-8)6-9-7-11-9/h8-9H,2-7H2,1H3
InChIKeyZXECTFQQKBDZQX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds2

About 4-methyl-1-(oxiran-2-ylmethyl)piperidine

4-methyl-1-(oxiran-2-ylmethyl)piperidine (PubChem CID 13313618) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methyl-1-(oxiran-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(oxiran-2-ylmethyl)piperidine
PubChem CID13313618
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methyl-1-(oxiran-2-ylmethyl)piperidine
SMILESCC1CCN(CC2CO2)CC1
InChIInChI=1S/C9H17NO/c1-8-2-4-10(5-3-8)6-9-7-11-9/h8-9H,2-7H2,1H3
InChIKeyZXECTFQQKBDZQX-UHFFFAOYSA-N
XLogP1.12
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 4-methyl-1-(oxiran-2-ylmethyl)piperidine?
The IUPAC name of 4-methyl-1-(oxiran-2-ylmethyl)piperidine (CID 13313618) is 4-methyl-1-(oxiran-2-ylmethyl)piperidine.
What is the SMILES notation for 4-methyl-1-(oxiran-2-ylmethyl)piperidine?
The canonical SMILES for 4-methyl-1-(oxiran-2-ylmethyl)piperidine is CC1CCN(CC2CO2)CC1.
What is the InChIKey of 4-methyl-1-(oxiran-2-ylmethyl)piperidine?
The InChIKey is ZXECTFQQKBDZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-2-4-10(5-3-8)6-9-7-11-9/h8-9H,2-7H2,1H3.
What are the key properties of 4-methyl-1-(oxiran-2-ylmethyl)piperidine?
4-methyl-1-(oxiran-2-ylmethyl)piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxiran-2-ylmethyl)piperidine is sourced from PubChem (CID 13313618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).