1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine

C15H29N3 — CID 66203078

IUPAC1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine
SMILESCCC1CCCCC1N1CCN(C2CNC2)CC1
InChIInChI=1S/C15H29N3/c1-2-13-5-3-4-6-15(13)18-9-7-17(8-10-18)14-11-16-12-14/h13-16H,2-12H2,1H3
InChIKeyPMLRNJFFNSSYAM-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.54
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine

1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine (PubChem CID 66203078) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine
PubChem CID66203078
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine
SMILESCCC1CCCCC1N1CCN(C2CNC2)CC1
InChIInChI=1S/C15H29N3/c1-2-13-5-3-4-6-15(13)18-9-7-17(8-10-18)14-11-16-12-14/h13-16H,2-12H2,1H3
InChIKeyPMLRNJFFNSSYAM-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.54
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-(2-ethylcyclohexyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine (CID 66203078) is 1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine is CCC1CCCCC1N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine?
The InChIKey is PMLRNJFFNSSYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-13-5-3-4-6-15(13)18-9-7-17(8-10-18)14-11-16-12-14/h13-16H,2-12H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine?
1-(azetidin-3-yl)-4-(2-ethylcyclohexyl)piperazine has a molecular weight of 251.42 g/mol, XLogP of 1.54, 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-(2-ethylcyclohexyl)piperazine is sourced from PubChem (CID 66203078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).