[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine

C13H27N3O — CID 63740705

IUPAC[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
SMILESCC1CN(CC2(CN)CCCOC2)CCN1C
InChIInChI=1S/C13H27N3O/c1-12-8-16(6-5-15(12)2)10-13(9-14)4-3-7-17-11-13/h12H,3-11,14H2,1-2H3
InChIKeyFLQHEJHUYTZCEP-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.38
Rot. Bonds3

About [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine

[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine (PubChem CID 63740705) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
PubChem CID63740705
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
SMILESCC1CN(CC2(CN)CCCOC2)CCN1C
InChIInChI=1S/C13H27N3O/c1-12-8-16(6-5-15(12)2)10-13(9-14)4-3-7-17-11-13/h12H,3-11,14H2,1-2H3
InChIKeyFLQHEJHUYTZCEP-UHFFFAOYSA-N
XLogP0.38
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine?
The IUPAC name of [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine (CID 63740705) is [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine.
What is the SMILES notation for [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine?
The canonical SMILES for [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine is CC1CN(CC2(CN)CCCOC2)CCN1C.
What is the InChIKey of [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine?
The InChIKey is FLQHEJHUYTZCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12-8-16(6-5-15(12)2)10-13(9-14)4-3-7-17-11-13/h12H,3-11,14H2,1-2H3.
What are the key properties of [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine?
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine has a molecular weight of 241.38 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine is sourced from PubChem (CID 63740705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).