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

C16H32N4 — CID 169319865

IUPAC1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCN1CCC(CN2CCN(CC3CN(C)C3)CC2)CC1
InChIInChI=1S/C16H32N4/c1-17-5-3-15(4-6-17)13-19-7-9-20(10-8-19)14-16-11-18(2)12-16/h15-16H,3-14H2,1-2H3
InChIKeyIBWADSDFGYHSJO-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.51
Rot. Bonds4

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

1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine (PubChem CID 169319865) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
PubChem CID169319865
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCN1CCC(CN2CCN(CC3CN(C)C3)CC2)CC1
InChIInChI=1S/C16H32N4/c1-17-5-3-15(4-6-17)13-19-7-9-20(10-8-19)14-16-11-18(2)12-16/h15-16H,3-14H2,1-2H3
InChIKeyIBWADSDFGYHSJO-UHFFFAOYSA-N
XLogP0.51
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
CID 169319674
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
methyl-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]silane
CID 174027762
N-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanamine
CID 171641734
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 121451427
ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane
CID 168901872
1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine
CID 171070413
ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol
CID 177318564
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 162741705

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine (CID 169319865) is 1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine is CN1CCC(CN2CCN(CC3CN(C)C3)CC2)CC1.
What is the InChIKey of 1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The InChIKey is IBWADSDFGYHSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-17-5-3-15(4-6-17)13-19-7-9-20(10-8-19)14-16-11-18(2)12-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine has a molecular weight of 280.46 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 169319865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).