1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine

C13H25FN2 — CID 126752886

IUPAC1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CC(C)(F)C2)CC1
InChIInChI=1S/C13H25FN2/c1-11(2)16-6-4-15(5-7-16)10-12-8-13(3,14)9-12/h11-12H,4-10H2,1-3H3
InChIKeyLNNHETNLJCKNPY-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.15
Rot. Bonds3

About 1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine

1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine (PubChem CID 126752886) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine
PubChem CID126752886
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CC(C)(F)C2)CC1
InChIInChI=1S/C13H25FN2/c1-11(2)16-6-4-15(5-7-16)10-12-8-13(3,14)9-12/h11-12H,4-10H2,1-3H3
InChIKeyLNNHETNLJCKNPY-UHFFFAOYSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine 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

3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 134414100
1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine
CID 126759873
6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane
CID 166461762
1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952684
ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702527
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702528
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine (CID 126752886) is 1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(CC2CC(C)(F)C2)CC1.
What is the InChIKey of 1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is LNNHETNLJCKNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-11(2)16-6-4-15(5-7-16)10-12-8-13(3,14)9-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine?
1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 228.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 126752886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).