1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine

C14H28N4 — CID 169319674

IUPAC1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
SMILESCN1CC(CN2CCN(CC3CN(C)C3)CC2)C1
InChIInChI=1S/C14H28N4/c1-15-7-13(8-15)11-17-3-5-18(6-4-17)12-14-9-16(2)10-14/h13-14H,3-12H2,1-2H3
InChIKeyCDWWADWCQBNROO-UHFFFAOYSA-N
MW252.41 g/mol
LogP-0.27
Rot. Bonds4

About 1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine

1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine (PubChem CID 169319674) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
PubChem CID169319674
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
SMILESCN1CC(CN2CCN(CC3CN(C)C3)CC2)C1
InChIInChI=1S/C14H28N4/c1-15-7-13(8-15)11-17-3-5-18(6-4-17)12-14-9-16(2)10-14/h13-14H,3-12H2,1-2H3
InChIKeyCDWWADWCQBNROO-UHFFFAOYSA-N
XLogP-0.27
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperazine
CID 135217005
2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 171069848
4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine
CID 166537025
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
1-[[(3R)-1-methylpiperidin-3-yl]methyl]piperidin-4-ol
CID 156719953
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492
ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine
CID 171070213
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
CID 171069945

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine?
The IUPAC name of 1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine (CID 169319674) is 1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine?
The canonical SMILES for 1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine is CN1CC(CN2CCN(CC3CN(C)C3)CC2)C1.
What is the InChIKey of 1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine?
The InChIKey is CDWWADWCQBNROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-15-7-13(8-15)11-17-3-5-18(6-4-17)12-14-9-16(2)10-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine?
1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine has a molecular weight of 252.41 g/mol, XLogP of -0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine is sourced from PubChem (CID 169319674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).