1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride

C10H24Cl3N3O — CID 146083030

IUPAC1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride
SMILESCOCCN1CCN(C2CNC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C10H21N3O.3ClH/c1-14-7-6-12-2-4-13(5-3-12)10-8-11-9-10;;;/h10-11H,2-9H2,1H3;3*1H
InChIKeySGJNHEQZMJUZCM-UHFFFAOYSA-N
MW308.68 g/mol
LogP0.49
Rot. Bonds4

About 1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride

1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride (PubChem CID 146083030) has the molecular formula C10H24Cl3N3O and a molecular weight of 308.68 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride
PubChem CID146083030
Molecular FormulaC10H24Cl3N3O
Molecular Weight308.68 g/mol
Exact Mass307.10
IUPAC Name1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride
SMILESCOCCN1CCN(C2CNC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C10H21N3O.3ClH/c1-14-7-6-12-2-4-13(5-3-12)10-8-11-9-10;;;/h10-11H,2-9H2,1H3;3*1H
InChIKeySGJNHEQZMJUZCM-UHFFFAOYSA-N
XLogP0.49
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.68
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride?
The IUPAC name of 1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride (CID 146083030) is 1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride is COCCN1CCN(C2CNC2)CC1.Cl.Cl.Cl.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride?
The InChIKey is SGJNHEQZMJUZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.3ClH/c1-14-7-6-12-2-4-13(5-3-12)10-8-11-9-10;;;/h10-11H,2-9H2,1H3;3*1H.
What are the key properties of 1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride?
1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride has a molecular weight of 308.68 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(2-methoxyethyl)piperazine;trihydrochloride is sourced from PubChem (CID 146083030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).