1-(oxiran-2-yl)piperidine

C7H13NO — CID 19935661

IUPAC1-(oxiran-2-yl)piperidine
SMILESC1CCN(C2CO2)CC1
InChIInChI=1S/C7H13NO/c1-2-4-8(5-3-1)7-6-9-7/h7H,1-6H2
InChIKeyCMPHJMMMOCOHJC-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.83
Rot. Bonds1

About 1-(oxiran-2-yl)piperidine

1-(oxiran-2-yl)piperidine (PubChem CID 19935661) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(oxiran-2-yl)piperidine.

Molecular Properties

Compound Name1-(oxiran-2-yl)piperidine
PubChem CID19935661
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(oxiran-2-yl)piperidine
SMILESC1CCN(C2CO2)CC1
InChIInChI=1S/C7H13NO/c1-2-4-8(5-3-1)7-6-9-7/h7H,1-6H2
InChIKeyCMPHJMMMOCOHJC-UHFFFAOYSA-N
XLogP0.83
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.83
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

ethane;1-(oxetan-3-yl)piperidine
CID 170574433
1-cyclopropylpiperidine
CID 10909573
1-cyclohexylazocane
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1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274
1-cyclohexylpiperidine;methane
CID 143122486
1-cyclopent-3-en-1-ylazepane
CID 67325729
(3R)-3-piperidin-1-yloxiran-2-ol
CID 155221642
1-azabicyclo[9.1.0]dodecane
CID 87228787
1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188
3-(azocan-1-yl)cyclobutan-1-amine
CID 80561417

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-yl)piperidine?
The IUPAC name of 1-(oxiran-2-yl)piperidine (CID 19935661) is 1-(oxiran-2-yl)piperidine.
What is the SMILES notation for 1-(oxiran-2-yl)piperidine?
The canonical SMILES for 1-(oxiran-2-yl)piperidine is C1CCN(C2CO2)CC1.
What is the InChIKey of 1-(oxiran-2-yl)piperidine?
The InChIKey is CMPHJMMMOCOHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-4-8(5-3-1)7-6-9-7/h7H,1-6H2.
What are the key properties of 1-(oxiran-2-yl)piperidine?
1-(oxiran-2-yl)piperidine has a molecular weight of 127.19 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)piperidine is sourced from PubChem (CID 19935661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).