N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine

C13H27N3O — CID 115255717

IUPACN-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine
SMILESCC(CNCC1CCOCC1)N1CCNCC1
InChIInChI=1S/C13H27N3O/c1-12(16-6-4-14-5-7-16)10-15-11-13-2-8-17-9-3-13/h12-15H,2-11H2,1H3
InChIKeyIMUZGWMRICRRGB-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.30
Rot. Bonds5

About N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine

N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine (PubChem CID 115255717) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine
PubChem CID115255717
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine
SMILESCC(CNCC1CCOCC1)N1CCNCC1
InChIInChI=1S/C13H27N3O/c1-12(16-6-4-14-5-7-16)10-15-11-13-2-8-17-9-3-13/h12-15H,2-11H2,1H3
InChIKeyIMUZGWMRICRRGB-UHFFFAOYSA-N
XLogP0.30
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine 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

N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55066116
N-(cyclohexylmethyl)-2-piperazin-1-ylpropan-1-amine
CID 115255716
N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255719
N-(oxan-4-ylmethyl)-3-piperazin-1-ylbutanamide
CID 115189158
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
2-methyl-N-(oxan-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 55136389
N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 115238395
2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63937896
N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine
CID 116954862
(2S)-3-methyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 68721418
N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine
CID 115255377
N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine (CID 115255717) is N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine is CC(CNCC1CCOCC1)N1CCNCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine?
The InChIKey is IMUZGWMRICRRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(16-6-4-14-5-7-16)10-15-11-13-2-8-17-9-3-13/h12-15H,2-11H2,1H3.
What are the key properties of N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine?
N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115255717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).