1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine

C17H33N3O — CID 171641465

IUPAC1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine
SMILESCCN1CCN(CC2CC(OC3CCN(C)CC3)C2)CC1
InChIInChI=1S/C17H33N3O/c1-3-19-8-10-20(11-9-19)14-15-12-17(13-15)21-16-4-6-18(2)7-5-16/h15-17H,3-14H2,1-2H3
InChIKeyBUGNQUUUPOABNF-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.51
Rot. Bonds5

About 1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine

1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine (PubChem CID 171641465) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine
PubChem CID171641465
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine
SMILESCCN1CCN(CC2CC(OC3CCN(C)CC3)C2)CC1
InChIInChI=1S/C17H33N3O/c1-3-19-8-10-20(11-9-19)14-15-12-17(13-15)21-16-4-6-18(2)7-5-16/h15-17H,3-14H2,1-2H3
InChIKeyBUGNQUUUPOABNF-UHFFFAOYSA-N
XLogP1.51
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine (CID 171641465) is 1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine is CCN1CCN(CC2CC(OC3CCN(C)CC3)C2)CC1.
What is the InChIKey of 1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine?
The InChIKey is BUGNQUUUPOABNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-19-8-10-20(11-9-19)14-15-12-17(13-15)21-16-4-6-18(2)7-5-16/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine?
1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine has a molecular weight of 295.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine is sourced from PubChem (CID 171641465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).