2-(oxiran-2-ylmethyl)piperidine

C8H15NO — CID 175333700

IUPAC2-(oxiran-2-ylmethyl)piperidine
SMILESC1CCC(CC2CO2)NC1
InChIInChI=1S/C8H15NO/c1-2-4-9-7(3-1)5-8-6-10-8/h7-9H,1-6H2
InChIKeyMRYPNYONUKLAND-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds2

About 2-(oxiran-2-ylmethyl)piperidine

2-(oxiran-2-ylmethyl)piperidine (PubChem CID 175333700) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethyl)piperidine.

Molecular Properties

Compound Name2-(oxiran-2-ylmethyl)piperidine
PubChem CID175333700
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(oxiran-2-ylmethyl)piperidine
SMILESC1CCC(CC2CO2)NC1
InChIInChI=1S/C8H15NO/c1-2-4-9-7(3-1)5-8-6-10-8/h7-9H,1-6H2
InChIKeyMRYPNYONUKLAND-UHFFFAOYSA-N
XLogP0.92
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-(cyclohexylmethyl)piperidine
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2-(cycloheptylmethyl)piperidine
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2-(piperidin-2-ylmethyl)-1,3-oxazinane;hydrochloride
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2-[(5-methyloxolan-2-yl)methyl]pyrrolidine
CID 104687972
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepane
CID 23618084
2-[2-(oxolan-2-yl)ethyl]azepane
CID 65165343
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
CID 176937281
CID 176937281
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[2-(1,3-dioxolan-2-yl)ethyl]piperidine
CID 10559432
(2R)-2-[2-(1,3-dioxan-2-yl)ethyl]piperidine
CID 10655617

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethyl)piperidine?
The IUPAC name of 2-(oxiran-2-ylmethyl)piperidine (CID 175333700) is 2-(oxiran-2-ylmethyl)piperidine.
What is the SMILES notation for 2-(oxiran-2-ylmethyl)piperidine?
The canonical SMILES for 2-(oxiran-2-ylmethyl)piperidine is C1CCC(CC2CO2)NC1.
What is the InChIKey of 2-(oxiran-2-ylmethyl)piperidine?
The InChIKey is MRYPNYONUKLAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-4-9-7(3-1)5-8-6-10-8/h7-9H,1-6H2.
What are the key properties of 2-(oxiran-2-ylmethyl)piperidine?
2-(oxiran-2-ylmethyl)piperidine has a molecular weight of 141.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethyl)piperidine is sourced from PubChem (CID 175333700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).