1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride

C16H24ClFN2O — CID 171179720

IUPAC1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1cc([C@H](C2CCC2)N2CCNCC2)ccc1F.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-20-15-11-13(5-6-14(15)17)16(12-3-2-4-12)19-9-7-18-8-10-19;/h5-6,11-12,16,18H,2-4,7-10H2,1H3;1H/t16-;/m0./s1
InChIKeyQPUAUINTBULAOU-NTISSMGPSA-N
MW314.83 g/mol
LogP3.00
Rot. Bonds4

About 1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride

1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride (PubChem CID 171179720) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
PubChem CID171179720
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1cc([C@H](C2CCC2)N2CCNCC2)ccc1F.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-20-15-11-13(5-6-14(15)17)16(12-3-2-4-12)19-9-7-18-8-10-19;/h5-6,11-12,16,18H,2-4,7-10H2,1H3;1H/t16-;/m0./s1
InChIKeyQPUAUINTBULAOU-NTISSMGPSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride 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)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961
1-[(R)-cyclohexyl-(3-fluoro-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287647
1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(S)-cyclobutyl-(3-ethoxy-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280900
1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 95468433
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine
CID 171295207
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
CID 171276134
1-[(1S)-2,2-difluoro-1-(4-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 171290660
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179588

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride (CID 171179720) is 1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride is COc1cc([C@H](C2CCC2)N2CCNCC2)ccc1F.Cl.
What is the InChIKey of 1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride?
The InChIKey is QPUAUINTBULAOU-NTISSMGPSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-20-15-11-13(5-6-14(15)17)16(12-3-2-4-12)19-9-7-18-8-10-19;/h5-6,11-12,16,18H,2-4,7-10H2,1H3;1H/t16-;/m0./s1.
What are the key properties of 1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride?
1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171179720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).