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

C15H30N4 — CID 169319806

IUPAC1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
SMILESCN1CCC(CN2CC(N3CCN(C)CC3)C2)CC1
InChIInChI=1S/C15H30N4/c1-16-5-3-14(4-6-16)11-18-12-15(13-18)19-9-7-17(2)8-10-19/h14-15H,3-13H2,1-2H3
InChIKeyCQXAEVFJEZUZPR-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.26
Rot. Bonds3

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

1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine (PubChem CID 169319806) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
PubChem CID169319806
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
SMILESCN1CCC(CN2CC(N3CCN(C)CC3)C2)CC1
InChIInChI=1S/C15H30N4/c1-16-5-3-14(4-6-16)11-18-12-15(13-18)19-9-7-17(2)8-10-19/h14-15H,3-13H2,1-2H3
InChIKeyCQXAEVFJEZUZPR-UHFFFAOYSA-N
XLogP0.26
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
2-methyl-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167091235
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
ethane;[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanamine
CID 142368379
1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
CID 167091081
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane
CID 176984978
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine
CID 165136754
1-[[1-(1-methylpyrrolidin-3-yl)piperidin-4-yl]methyl]piperazine
CID 167091333
1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
CID 167265160

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine (CID 169319806) is 1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine is CN1CCC(CN2CC(N3CCN(C)CC3)C2)CC1.
What is the InChIKey of 1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine?
The InChIKey is CQXAEVFJEZUZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-16-5-3-14(4-6-16)11-18-12-15(13-18)19-9-7-17(2)8-10-19/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine?
1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine has a molecular weight of 266.43 g/mol, XLogP of 0.26, 3 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-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 169319806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).