2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one

C14H26N2O3 — CID 65051935

IUPAC2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one
SMILESCC(OC1(CN)CCCOC1)C(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-12(13(17)16-7-3-2-4-8-16)19-14(10-15)6-5-9-18-11-14/h12H,2-11,15H2,1H3
InChIKeyNPIKMMLKHKWVDW-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.91
Rot. Bonds4

About 2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one

2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one (PubChem CID 65051935) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one
PubChem CID65051935
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one
SMILESCC(OC1(CN)CCCOC1)C(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-12(13(17)16-7-3-2-4-8-16)19-14(10-15)6-5-9-18-11-14/h12H,2-11,15H2,1H3
InChIKeyNPIKMMLKHKWVDW-UHFFFAOYSA-N
XLogP0.91
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65051407
2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65050882
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65052436
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-(azepan-1-yl)propan-1-one
CID 65052541
2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65052797
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65052853
1-(azepan-1-yl)-2-[(3-methoxyoxolan-3-yl)methylamino]propan-1-one
CID 104704791
2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide
CID 65051564
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244
2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one
CID 65053236
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
CID 65050602
1-(azepan-1-yl)-2-[(3-hydroxyoxolan-3-yl)methylamino]propan-1-one
CID 106100801

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one (CID 65051935) is 2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one is CC(OC1(CN)CCCOC1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one?
The InChIKey is NPIKMMLKHKWVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-12(13(17)16-7-3-2-4-8-16)19-14(10-15)6-5-9-18-11-14/h12H,2-11,15H2,1H3.
What are the key properties of 2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one?
2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one has a molecular weight of 270.37 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 65051935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).