1-[3-(3-methylazetidin-1-yl)propyl]piperazine

C11H23N3 — CID 79677275

IUPAC1-[3-(3-methylazetidin-1-yl)propyl]piperazine
SMILESCC1CN(CCCN2CCNCC2)C1
InChIInChI=1S/C11H23N3/c1-11-9-14(10-11)6-2-5-13-7-3-12-4-8-13/h11-12H,2-10H2,1H3
InChIKeyDCSIZRUIBVOKCV-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.23
Rot. Bonds4

About 1-[3-(3-methylazetidin-1-yl)propyl]piperazine

1-[3-(3-methylazetidin-1-yl)propyl]piperazine (PubChem CID 79677275) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-[3-(3-methylazetidin-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(3-methylazetidin-1-yl)propyl]piperazine
PubChem CID79677275
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-[3-(3-methylazetidin-1-yl)propyl]piperazine
SMILESCC1CN(CCCN2CCNCC2)C1
InChIInChI=1S/C11H23N3/c1-11-9-14(10-11)6-2-5-13-7-3-12-4-8-13/h11-12H,2-10H2,1H3
InChIKeyDCSIZRUIBVOKCV-UHFFFAOYSA-N
XLogP0.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
CID 79677755
ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 153398628
4-methyl-1-(3-piperazin-1-ylpropyl)imidazolidin-2-one
CID 116980787
1-tricosylpiperazine
CID 130183651
1-(8-methylnonyl)piperazine
CID 170614920
6-methyl-1-(5,5,5-trifluoropentyl)-1,4-diazepane
CID 115521968
1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine
CID 146420488
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
1-(3-methylsulfanylpropyl)piperazine
CID 61057069
ethane;1-octylpiperazine
CID 144711845
1-[3-(3-methylazetidin-1-yl)propyl]-4-(3-methylcyclobutyl)oxypiperidine
CID 167594175
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylazetidin-1-yl)propyl]piperazine?
The IUPAC name of 1-[3-(3-methylazetidin-1-yl)propyl]piperazine (CID 79677275) is 1-[3-(3-methylazetidin-1-yl)propyl]piperazine.
What is the SMILES notation for 1-[3-(3-methylazetidin-1-yl)propyl]piperazine?
The canonical SMILES for 1-[3-(3-methylazetidin-1-yl)propyl]piperazine is CC1CN(CCCN2CCNCC2)C1.
What is the InChIKey of 1-[3-(3-methylazetidin-1-yl)propyl]piperazine?
The InChIKey is DCSIZRUIBVOKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-11-9-14(10-11)6-2-5-13-7-3-12-4-8-13/h11-12H,2-10H2,1H3.
What are the key properties of 1-[3-(3-methylazetidin-1-yl)propyl]piperazine?
1-[3-(3-methylazetidin-1-yl)propyl]piperazine has a molecular weight of 197.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylazetidin-1-yl)propyl]piperazine is sourced from PubChem (CID 79677275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).