4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine

C13H25N3O — CID 115295408

IUPAC4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine
SMILESNC1(CN2CCN(C3CC3)CC2)CCOCC1
InChIInChI=1S/C13H25N3O/c14-13(3-9-17-10-4-13)11-15-5-7-16(8-6-15)12-1-2-12/h12H,1-11,14H2
InChIKeyZCKMPGXSEZOADL-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.27
Rot. Bonds3

About 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine

4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine (PubChem CID 115295408) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine
PubChem CID115295408
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine
SMILESNC1(CN2CCN(C3CC3)CC2)CCOCC1
InChIInChI=1S/C13H25N3O/c14-13(3-9-17-10-4-13)11-15-5-7-16(8-6-15)12-1-2-12/h12H,1-11,14H2
InChIKeyZCKMPGXSEZOADL-UHFFFAOYSA-N
XLogP0.27
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-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

4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
CID 113280991
N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392915
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine
CID 115295423
1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 63631721
1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
CID 126851078
4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]oxan-4-amine
CID 107456216
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-amine
CID 79943257
1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 79842271
4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-amine
CID 115295276
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-amine
CID 104959111
3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine
CID 103497369
4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine
CID 114410477

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine?
The IUPAC name of 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine (CID 115295408) is 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine is NC1(CN2CCN(C3CC3)CC2)CCOCC1.
What is the InChIKey of 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine?
The InChIKey is ZCKMPGXSEZOADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-13(3-9-17-10-4-13)11-15-5-7-16(8-6-15)12-1-2-12/h12H,1-11,14H2.
What are the key properties of 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine?
4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine has a molecular weight of 239.36 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 115295408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).