1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine

C14H27N3 — CID 66202501

IUPAC1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine
SMILESCCC1CCC(N2CCN(C3CNC3)CC2)C1
InChIInChI=1S/C14H27N3/c1-2-12-3-4-13(9-12)16-5-7-17(8-6-16)14-10-15-11-14/h12-15H,2-11H2,1H3
InChIKeyXKIAUHDKIHTFGQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.15
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine

1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine (PubChem CID 66202501) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine
PubChem CID66202501
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine
SMILESCCC1CCC(N2CCN(C3CNC3)CC2)C1
InChIInChI=1S/C14H27N3/c1-2-12-3-4-13(9-12)16-5-7-17(8-6-16)14-10-15-11-14/h12-15H,2-11H2,1H3
InChIKeyXKIAUHDKIHTFGQ-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine (CID 66202501) is 1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine is CCC1CCC(N2CCN(C3CNC3)CC2)C1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine?
The InChIKey is XKIAUHDKIHTFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-12-3-4-13(9-12)16-5-7-17(8-6-16)14-10-15-11-14/h12-15H,2-11H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine?
1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine has a molecular weight of 237.39 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine is sourced from PubChem (CID 66202501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).