1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine

C13H24N2O — CID 115728295

IUPAC1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine
SMILESCC1CN(C)CCC1NC1CC2CCC1O2
InChIInChI=1S/C13H24N2O/c1-9-8-15(2)6-5-11(9)14-12-7-10-3-4-13(12)16-10/h9-14H,3-8H2,1-2H3
InChIKeySLFJLVQCFPWTRW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds2

About 1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine

1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine (PubChem CID 115728295) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine
PubChem CID115728295
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine
SMILESCC1CN(C)CCC1NC1CC2CCC1O2
InChIInChI=1S/C13H24N2O/c1-9-8-15(2)6-5-11(9)14-12-7-10-3-4-13(12)16-10/h9-14H,3-8H2,1-2H3
InChIKeySLFJLVQCFPWTRW-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-(2-methylcyclobutyl)piperidin-4-amine
CID 130171575
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80714777
N-(1,3-dimethylpiperidin-4-yl)-1,2,5-trimethylpiperidin-4-amine
CID 113261212
1,3-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidin-4-amine
CID 115714383
2-[(1,3-dimethylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 115891311
N-(1,3-dimethylpiperidin-4-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114503286
1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-amine
CID 115720105
1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine
CID 115615447
N-(1,3-dimethylpiperidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115709714
1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine
CID 80715147
N-(3-ethylcyclopentyl)-1,3-dimethylpiperidin-4-amine
CID 115717575
N-(2-tert-butylcyclohexyl)-1,3-dimethylpiperidin-4-amine
CID 115708700

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine (CID 115728295) is 1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine is CC1CN(C)CCC1NC1CC2CCC1O2.
What is the InChIKey of 1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine?
The InChIKey is SLFJLVQCFPWTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-8-15(2)6-5-11(9)14-12-7-10-3-4-13(12)16-10/h9-14H,3-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine?
1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine has a molecular weight of 224.35 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine is sourced from PubChem (CID 115728295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).