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

C9H19N3 — CID 173074477

IUPAC1-[1-(azetidin-3-yl)ethyl]piperazine
SMILESCC(C1CNC1)N1CCNCC1
InChIInChI=1S/C9H19N3/c1-8(9-6-11-7-9)12-4-2-10-3-5-12/h8-11H,2-7H2,1H3
InChIKeyNTJJBZRZBJBPEH-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.50
Rot. Bonds2

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

1-[1-(azetidin-3-yl)ethyl]piperazine (PubChem CID 173074477) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[1-(azetidin-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(azetidin-3-yl)ethyl]piperazine
PubChem CID173074477
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-[1-(azetidin-3-yl)ethyl]piperazine
SMILESCC(C1CNC1)N1CCNCC1
InChIInChI=1S/C9H19N3/c1-8(9-6-11-7-9)12-4-2-10-3-5-12/h8-11H,2-7H2,1H3
InChIKeyNTJJBZRZBJBPEH-UHFFFAOYSA-N
XLogP-0.50
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-piperazin-1-ylethyl)azepane
CID 82394500
4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid
CID 170432830
bis(4-(1-pyrrolidin-1-ylethyl)piperidine);hydrate;tetrahydrochloride
CID 53398924
1-propan-2-ylpiperazine;vanadium
CID 162375922
1-[(1S)-1-[(2S)-piperidin-2-yl]ethyl]piperazine
CID 97297801
1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine
CID 97297803
1-[1-(oxolan-2-yl)ethyl]piperazine
CID 60862286
5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213526
propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
CID 167698824
(3R)-1-[(1R)-1-[(3S)-pyrrolidin-3-yl]ethyl]pyrrolidin-3-ol
CID 129415903
1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158027588
1-methyl-7-propan-2-yl-1,4,7,10-tetrazacyclododecane
CID 145053856

Frequently Asked Questions

What is the IUPAC name of 1-[1-(azetidin-3-yl)ethyl]piperazine?
The IUPAC name of 1-[1-(azetidin-3-yl)ethyl]piperazine (CID 173074477) is 1-[1-(azetidin-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(azetidin-3-yl)ethyl]piperazine?
The canonical SMILES for 1-[1-(azetidin-3-yl)ethyl]piperazine is CC(C1CNC1)N1CCNCC1.
What is the InChIKey of 1-[1-(azetidin-3-yl)ethyl]piperazine?
The InChIKey is NTJJBZRZBJBPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(9-6-11-7-9)12-4-2-10-3-5-12/h8-11H,2-7H2,1H3.
What are the key properties of 1-[1-(azetidin-3-yl)ethyl]piperazine?
1-[1-(azetidin-3-yl)ethyl]piperazine has a molecular weight of 169.27 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(azetidin-3-yl)ethyl]piperazine is sourced from PubChem (CID 173074477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).