1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride

C16H25Cl2FN2 — CID 171277175

IUPAC1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
SMILESCc1ccc(F)cc1[C@H](C1CCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H23FN2.2ClH/c1-12-5-6-14(17)11-15(12)16(13-3-2-4-13)19-9-7-18-8-10-19;;/h5-6,11,13,16,18H,2-4,7-10H2,1H3;2*1H/t16-;;/m0../s1
InChIKeyWARQEJFFWLIWJT-SQKCAUCHSA-N
MW335.29 g/mol
LogP3.72
Rot. Bonds3

About 1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride

1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171277175) has the molecular formula C16H25Cl2FN2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
PubChem CID171277175
Molecular FormulaC16H25Cl2FN2
Molecular Weight335.29 g/mol
Exact Mass334.14
IUPAC Name1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
SMILESCc1ccc(F)cc1[C@H](C1CCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H23FN2.2ClH/c1-12-5-6-14(17)11-15(12)16(13-3-2-4-13)19-9-7-18-8-10-19;;/h5-6,11,13,16,18H,2-4,7-10H2,1H3;2*1H/t16-;;/m0../s1
InChIKeyWARQEJFFWLIWJT-SQKCAUCHSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride 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

1-[(S)-cyclobutyl-(4-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171275263
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine
CID 95465787
1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171283985
1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179588
1-[(R)-cyclopropyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289674
1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288497
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride
CID 171168246
1-[(R)-(2-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171169175
1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride (CID 171277175) is 1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride is Cc1ccc(F)cc1[C@H](C1CCC1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is WARQEJFFWLIWJT-SQKCAUCHSA-N. The full InChI is InChI=1S/C16H23FN2.2ClH/c1-12-5-6-14(17)11-15(12)16(13-3-2-4-13)19-9-7-18-8-10-19;;/h5-6,11,13,16,18H,2-4,7-10H2,1H3;2*1H/t16-;;/m0../s1.
What are the key properties of 1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 335.29 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171277175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).