1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine

C10H18F2N2 — CID 126759873

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine
SMILESCN1CCN(CC2CC(F)(F)C2)CC1
InChIInChI=1S/C10H18F2N2/c1-13-2-4-14(5-3-13)8-9-6-10(11,12)7-9/h9H,2-8H2,1H3
InChIKeyUVWJJCAUPCZOGB-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.28
Rot. Bonds2

About 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine

1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine (PubChem CID 126759873) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine
PubChem CID126759873
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine
SMILESCN1CCN(CC2CC(F)(F)C2)CC1
InChIInChI=1S/C10H18F2N2/c1-13-2-4-14(5-3-13)8-9-6-10(11,12)7-9/h9H,2-8H2,1H3
InChIKeyUVWJJCAUPCZOGB-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine
CID 126793759
1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine
CID 126793833
1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine
CID 126752886
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine
CID 131041769
1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
CID 169319674
1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol
CID 130909227
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
1-methyl-4-[(4-propylcyclohexyl)methyl]piperazine
CID 91446978
[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270870
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine (CID 126759873) is 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine is CN1CCN(CC2CC(F)(F)C2)CC1.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine?
The InChIKey is UVWJJCAUPCZOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-13-2-4-14(5-3-13)8-9-6-10(11,12)7-9/h9H,2-8H2,1H3.
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine?
1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine has a molecular weight of 204.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 126759873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).