N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine

C13H26N2O2 — CID 102968342

IUPACN-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine
SMILESCOC1CCCN(CCNC2CCOCC2)C1
InChIInChI=1S/C13H26N2O2/c1-16-13-3-2-7-15(11-13)8-6-14-12-4-9-17-10-5-12/h12-14H,2-11H2,1H3
InChIKeyAOQPQJDDWCHUSU-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.87
Rot. Bonds5

About N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine

N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine (PubChem CID 102968342) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine
PubChem CID102968342
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine
SMILESCOC1CCCN(CCNC2CCOCC2)C1
InChIInChI=1S/C13H26N2O2/c1-16-13-3-2-7-15(11-13)8-6-14-12-4-9-17-10-5-12/h12-14H,2-11H2,1H3
InChIKeyAOQPQJDDWCHUSU-UHFFFAOYSA-N
XLogP0.87
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(4aR,8aS)-4-methyl-octahydro-2H-pyrido(4,3-b)(1,4)oxazine
CID 90430723
1-(Oxan-3-yl)piperazine
CID 57586038
1-(2-methoxyethyl)-N-(oxan-4-yl)piperidin-3-amine
CID 71926595
N-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)ethanamine
CID 75443090
5-Fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
CID 123439098
1-Ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
CID 130279917
5-Fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine
CID 134577936
2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55087914
2-(3-propoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62568040
N-propyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine
CID 62967176
N-ethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine
CID 62967869
N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine
CID 62968400

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine (CID 102968342) is N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine is COC1CCCN(CCNC2CCOCC2)C1.
What is the InChIKey of N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine?
The InChIKey is AOQPQJDDWCHUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-16-13-3-2-7-15(11-13)8-6-14-12-4-9-17-10-5-12/h12-14H,2-11H2,1H3.
What are the key properties of N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine?
N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine has a molecular weight of 242.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 102968342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).