1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine

C14H29N3O — CID 55065943

IUPAC1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
SMILESCCN1CCN(CC2(CNC)CCOCC2)CC1
InChIInChI=1S/C14H29N3O/c1-3-16-6-8-17(9-7-16)13-14(12-15-2)4-10-18-11-5-14/h15H,3-13H2,1-2H3
InChIKeyCDMHYPQAJJXLTF-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.64
Rot. Bonds5

About 1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine

1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine (PubChem CID 55065943) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
PubChem CID55065943
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
SMILESCCN1CCN(CC2(CNC)CCOCC2)CC1
InChIInChI=1S/C14H29N3O/c1-3-16-6-8-17(9-7-16)13-14(12-15-2)4-10-18-11-5-14/h15H,3-13H2,1-2H3
InChIKeyCDMHYPQAJJXLTF-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine (CID 55065943) is 1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine is CCN1CCN(CC2(CNC)CCOCC2)CC1.
What is the InChIKey of 1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine?
The InChIKey is CDMHYPQAJJXLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-16-6-8-17(9-7-16)13-14(12-15-2)4-10-18-11-5-14/h15H,3-13H2,1-2H3.
What are the key properties of 1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine?
1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine has a molecular weight of 255.41 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylpiperazin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 55065943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).