3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine

C12H21NO2 — CID 175332018

IUPAC3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine
SMILESCC1(CC2CO2)CCCNC1CC1CO1
InChIInChI=1S/C12H21NO2/c1-12(6-10-8-15-10)3-2-4-13-11(12)5-9-7-14-9/h9-11,13H,2-8H2,1H3
InChIKeyGHAKSSCWMMNGQE-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.32
Rot. Bonds4

About 3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine

3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine (PubChem CID 175332018) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine
PubChem CID175332018
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine
SMILESCC1(CC2CO2)CCCNC1CC1CO1
InChIInChI=1S/C12H21NO2/c1-12(6-10-8-15-10)3-2-4-13-11(12)5-9-7-14-9/h9-11,13H,2-8H2,1H3
InChIKeyGHAKSSCWMMNGQE-UHFFFAOYSA-N
XLogP1.32
TPSA37.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Bis(oxiran-2-ylmethyl)pyrrolidine
CID 175224745
N-[[3-(2-methoxypropyl)oxan-3-yl]methyl]propan-2-amine
CID 105794062
N-[[3-(2-methoxypropyl)oxan-3-yl]methyl]cyclopropanamine
CID 105794189
N-[[3-(4-methoxybutyl)oxan-3-yl]methyl]cyclopropanamine
CID 105794253
N-ethyl-4-methoxy-1-(oxan-3-yl)pentan-1-amine
CID 107139180
4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139354

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine?
The IUPAC name of 3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine (CID 175332018) is 3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine.
What is the SMILES notation for 3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine?
The canonical SMILES for 3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine is CC1(CC2CO2)CCCNC1CC1CO1.
What is the InChIKey of 3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine?
The InChIKey is GHAKSSCWMMNGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(6-10-8-15-10)3-2-4-13-11(12)5-9-7-14-9/h9-11,13H,2-8H2,1H3.
What are the key properties of 3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine?
3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine has a molecular weight of 211.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-bis(oxiran-2-ylmethyl)piperidine is sourced from PubChem (CID 175332018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).