1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine

C14H21FN2 — CID 115970389

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine
SMILESCc1ccc(F)cc1CN1CCNC(C)(C)C1
InChIInChI=1S/C14H21FN2/c1-11-4-5-13(15)8-12(11)9-17-7-6-16-14(2,3)10-17/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyOECPEMYDTSHLIH-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.32
Rot. Bonds2

About 1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine

1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine (PubChem CID 115970389) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine
PubChem CID115970389
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine
SMILESCc1ccc(F)cc1CN1CCNC(C)(C)C1
InChIInChI=1S/C14H21FN2/c1-11-4-5-13(15)8-12(11)9-17-7-6-16-14(2,3)10-17/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyOECPEMYDTSHLIH-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine 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-[(3,3-dimethylpiperazin-1-yl)methyl]-4-methylaniline
CID 68626792
1-[(2-bromo-4-fluorophenyl)methyl]-3,3-dimethylpiperazine
CID 64832050
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol
CID 105374755
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine
CID 64925974
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperazine
CID 82303802
1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine
CID 104956316
1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 105375695
3-butan-2-yl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375654
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine
CID 66359956

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine (CID 115970389) is 1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine is Cc1ccc(F)cc1CN1CCNC(C)(C)C1.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine?
The InChIKey is OECPEMYDTSHLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-4-5-13(15)8-12(11)9-17-7-6-16-14(2,3)10-17/h4-5,8,16H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine?
1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine has a molecular weight of 236.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine is sourced from PubChem (CID 115970389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).