2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane

C14H28N2O — CID 117226635

IUPAC2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane
SMILESCCN1CCCCC1CC1(C)NCC(C)CO1
InChIInChI=1S/C14H28N2O/c1-4-16-8-6-5-7-13(16)9-14(3)15-10-12(2)11-17-14/h12-13,15H,4-11H2,1-3H3
InChIKeyKKGYOUQKCAMBRD-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.22
Rot. Bonds3

About 2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane

2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane (PubChem CID 117226635) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane
PubChem CID117226635
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane
SMILESCCN1CCCCC1CC1(C)NCC(C)CO1
InChIInChI=1S/C14H28N2O/c1-4-16-8-6-5-7-13(16)9-14(3)15-10-12(2)11-17-14/h12-13,15H,4-11H2,1-3H3
InChIKeyKKGYOUQKCAMBRD-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane?
The IUPAC name of 2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane (CID 117226635) is 2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane.
What is the SMILES notation for 2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane?
The canonical SMILES for 2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane is CCN1CCCCC1CC1(C)NCC(C)CO1.
What is the InChIKey of 2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane?
The InChIKey is KKGYOUQKCAMBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-16-8-6-5-7-13(16)9-14(3)15-10-12(2)11-17-14/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane?
2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane has a molecular weight of 240.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane is sourced from PubChem (CID 117226635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).