1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine

C13H23N5 — CID 66197162

IUPAC1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine
SMILESCc1nccn1CCN1CC(N2CCNCC2)C1
InChIInChI=1S/C13H23N5/c1-12-15-4-7-17(12)9-8-16-10-13(11-16)18-5-2-14-3-6-18/h4,7,13-14H,2-3,5-6,8-11H2,1H3
InChIKeyBSOAITHXBVDPGT-UHFFFAOYSA-N
MW249.36 g/mol
LogP-0.22
Rot. Bonds4

About 1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine

1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine (PubChem CID 66197162) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine
PubChem CID66197162
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine
SMILESCc1nccn1CCN1CC(N2CCNCC2)C1
InChIInChI=1S/C13H23N5/c1-12-15-4-7-17(12)9-8-16-10-13(11-16)18-5-2-14-3-6-18/h4,7,13-14H,2-3,5-6,8-11H2,1H3
InChIKeyBSOAITHXBVDPGT-UHFFFAOYSA-N
XLogP-0.22
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine (CID 66197162) is 1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine is Cc1nccn1CCN1CC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine?
The InChIKey is BSOAITHXBVDPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-12-15-4-7-17(12)9-8-16-10-13(11-16)18-5-2-14-3-6-18/h4,7,13-14H,2-3,5-6,8-11H2,1H3.
What are the key properties of 1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine?
1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine has a molecular weight of 249.36 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66197162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).