1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine

C13H26N4 — CID 167091081

IUPAC1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
SMILESCN1CCN(C2CN(C3CCN(C)C3)C2)CC1
InChIInChI=1S/C13H26N4/c1-14-5-7-16(8-6-14)13-10-17(11-13)12-3-4-15(2)9-12/h12-13H,3-11H2,1-2H3
InChIKeyORZPPFPIGJHEAG-UHFFFAOYSA-N
MW238.38 g/mol
LogP-0.38
Rot. Bonds2

About 1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine

1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine (PubChem CID 167091081) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
PubChem CID167091081
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
SMILESCN1CCN(C2CN(C3CCN(C)C3)C2)CC1
InChIInChI=1S/C13H26N4/c1-14-5-7-16(8-6-14)13-10-17(11-13)12-3-4-15(2)9-12/h12-13H,3-11H2,1-2H3
InChIKeyORZPPFPIGJHEAG-UHFFFAOYSA-N
XLogP-0.38
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
4-(1-methylpyrrolidin-3-yl)piperazin-1-amine
CID 177318483
1-methyl-4-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]piperidine
CID 169257843
4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 126993329
ethane;1-(1-methylpyrrolidin-3-yl)azepane
CID 142272859
2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155218522
2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)
CID 158552360
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
CID 94910735
3-(3-ethylazetidin-1-yl)-1-methylpyrrolidine
CID 164846501
1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 169319806
2-fluoro-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 170582043
1-(1-iodoazetidin-3-yl)-4-methylpiperazine
CID 152901586

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine?
The IUPAC name of 1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine (CID 167091081) is 1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine is CN1CCN(C2CN(C3CCN(C)C3)C2)CC1.
What is the InChIKey of 1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine?
The InChIKey is ORZPPFPIGJHEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-14-5-7-16(8-6-14)13-10-17(11-13)12-3-4-15(2)9-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine?
1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine has a molecular weight of 238.38 g/mol, XLogP of -0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine is sourced from PubChem (CID 167091081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).