4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

C14H26N2O — CID 106741006

IUPAC4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCC1CC(CN2CCOC3CCCC32)CCN1
InChIInChI=1S/C14H26N2O/c1-11-9-12(5-6-15-11)10-16-7-8-17-14-4-2-3-13(14)16/h11-15H,2-10H2,1H3
InChIKeyNFLYSROMDVKDLP-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds2

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

4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 106741006) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID106741006
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCC1CC(CN2CCOC3CCCC32)CCN1
InChIInChI=1S/C14H26N2O/c1-11-9-12(5-6-15-11)10-16-7-8-17-14-4-2-3-13(14)16/h11-15H,2-10H2,1H3
InChIKeyNFLYSROMDVKDLP-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of 4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 106741006) is 4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for 4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for 4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is CC1CC(CN2CCOC3CCCC32)CCN1.
What is the InChIKey of 4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is NFLYSROMDVKDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-9-12(5-6-15-11)10-16-7-8-17-14-4-2-3-13(14)16/h11-15H,2-10H2,1H3.
What are the key properties of 4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
4-[(2-methylpiperidin-4-yl)methyl]-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, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 106741006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).