4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

C14H26N2O — CID 62355656

IUPAC4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESC1CNCC(CCN2CCOC3CCCC32)C1
InChIInChI=1S/C14H26N2O/c1-4-13-14(5-1)17-10-9-16(13)8-6-12-3-2-7-15-11-12/h12-15H,1-11H2
InChIKeyLFKHSYNDUJJOKI-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds3

About 4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 62355656) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID62355656
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESC1CNCC(CCN2CCOC3CCCC32)C1
InChIInChI=1S/C14H26N2O/c1-4-13-14(5-1)17-10-9-16(13)8-6-12-3-2-7-15-11-12/h12-15H,1-11H2
InChIKeyLFKHSYNDUJJOKI-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of 4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 62355656) is 4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for 4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for 4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is C1CNCC(CCN2CCOC3CCCC32)C1.
What is the InChIKey of 4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is LFKHSYNDUJJOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-13-14(5-1)17-10-9-16(13)8-6-12-3-2-7-15-11-12/h12-15H,1-11H2.
What are the key properties of 4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 238.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-3-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 62355656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).