1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane

C12H27N3 — CID 156885601

IUPAC1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane
SMILESCC.CCN1CCN(CC2CNC2)CC1
InChIInChI=1S/C10H21N3.C2H6/c1-2-12-3-5-13(6-4-12)9-10-7-11-8-10;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyZFORSRJRQONKNQ-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.87
Rot. Bonds3

About 1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane

1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane (PubChem CID 156885601) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane
PubChem CID156885601
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane
SMILESCC.CCN1CCN(CC2CNC2)CC1
InChIInChI=1S/C10H21N3.C2H6/c1-2-12-3-5-13(6-4-12)9-10-7-11-8-10;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyZFORSRJRQONKNQ-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
1-(1-ethylpiperidin-4-yl)-4-(pyrrolidin-3-ylmethyl)piperazine
CID 170063851
4-(azetidin-3-ylmethyl)morpholine
CID 66596271
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane
CID 171070316
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 176985677
1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 167091278
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
4,10-diethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
CID 18740677
1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane
CID 157039213
1,4-diethylpiperazine;sulfane
CID 177062456

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane?
The IUPAC name of 1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane (CID 156885601) is 1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane is CC.CCN1CCN(CC2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane?
The InChIKey is ZFORSRJRQONKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3.C2H6/c1-2-12-3-5-13(6-4-12)9-10-7-11-8-10;1-2/h10-11H,2-9H2,1H3;1-2H3.
What are the key properties of 1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane?
1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane has a molecular weight of 213.37 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane is sourced from PubChem (CID 156885601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).