1-(azetidin-3-yl)-4-methylpiperazine

C8H17N3 — CID 20659800

IUPAC1-(azetidin-3-yl)-4-methylpiperazine
SMILESCN1CCN(C2CNC2)CC1
InChIInChI=1S/C8H17N3/c1-10-2-4-11(5-3-10)8-6-9-7-8/h8-9H,2-7H2,1H3
InChIKeyYOYKUPAOANVPBB-UHFFFAOYSA-N
MW155.25 g/mol
LogP-0.79
Rot. Bonds1

About 1-(azetidin-3-yl)-4-methylpiperazine

1-(azetidin-3-yl)-4-methylpiperazine (PubChem CID 20659800) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-methylpiperazine
PubChem CID20659800
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1-(azetidin-3-yl)-4-methylpiperazine
SMILESCN1CCN(C2CNC2)CC1
InChIInChI=1S/C8H17N3/c1-10-2-4-11(5-3-10)8-6-9-7-8/h8-9H,2-7H2,1H3
InChIKeyYOYKUPAOANVPBB-UHFFFAOYSA-N
XLogP-0.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Isopropylpiperazine
CID 78013
2,3,5,6-Tetramethylpiperazine
CID 521970
1-Isopropyl-piperazine hydrochloride
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1-(4-Methylpiperazin-1-yl)propan-2-amine
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1-(Butan-2-yl)piperazine
CID 2735696
1-(2-Diisopropylaminoethyl)piperazine
CID 2736173
2-(4-Methylpiperazin-1-yl)propan-1-amine
CID 16641457
1-sec-Butyl-piperazine hydrochloride
CID 16189617
1-(2-(1-Amino-2-propyl)aminoethyl)-2-methylpiperazine
CID 3086047
1-(2-(2-Amino-1-propyl)aminoethyl)-2-methylpiperazine
CID 3086048
1-(2-(2-Amino-1-propyl)aminoethyl)-3-methylpiperazine
CID 3086050
1,2-Propanediamine, N2-[2-(2-methyl-1-piperazinyl)ethyl]-
CID 21156129

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-methylpiperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-methylpiperazine (CID 20659800) is 1-(azetidin-3-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-methylpiperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-methylpiperazine is CN1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-methylpiperazine?
The InChIKey is YOYKUPAOANVPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-10-2-4-11(5-3-10)8-6-9-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-methylpiperazine?
1-(azetidin-3-yl)-4-methylpiperazine has a molecular weight of 155.25 g/mol, XLogP of -0.79, 1 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-methylpiperazine is sourced from PubChem (CID 20659800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).