1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine

C14H22N4 — CID 66202131

IUPAC1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine
SMILESCC(c1ccccn1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H22N4/c1-12(14-4-2-3-5-16-14)17-6-8-18(9-7-17)13-10-15-11-13/h2-5,12-13,15H,6-11H2,1H3
InChIKeyOZSCROFHFIJBES-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.73
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine

1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine (PubChem CID 66202131) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine
PubChem CID66202131
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine
SMILESCC(c1ccccn1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H22N4/c1-12(14-4-2-3-5-16-14)17-6-8-18(9-7-17)13-10-15-11-13/h2-5,12-13,15H,6-11H2,1H3
InChIKeyOZSCROFHFIJBES-UHFFFAOYSA-N
XLogP0.73
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2'-Bipyridine
CID 1474
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
2-Pyridinemethanamine
CID 19509
Betahistine Hydrochloride
CID 68643
Bis(2-pyridylmethyl)amine
CID 73759
2-Hexylpyridine
CID 70797
2-(2-(1-Piperidinyl)ethyl)pyridine
CID 79548
1,2-Di(2-pyridyl)ethylene
CID 5374802
N,N-dimethylpyridine-2-ethylamine
CID 80554
Pyridine, 2-(2-(methylamino)ethyl)-, hydrochloride
CID 203875
1-(4-Pyridyl)piperazine
CID 70517

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine (CID 66202131) is 1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine is CC(c1ccccn1)N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine?
The InChIKey is OZSCROFHFIJBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12(14-4-2-3-5-16-14)17-6-8-18(9-7-17)13-10-15-11-13/h2-5,12-13,15H,6-11H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine?
1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine has a molecular weight of 246.36 g/mol, XLogP of 0.73, 3 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-(1-pyridin-2-ylethyl)piperazine is sourced from PubChem (CID 66202131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).