1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride

C16H26ClFN2O — CID 171170121

IUPAC1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
SMILESCOc1ccc(F)cc1[C@@H](CC(C)C)N1CCNCC1.Cl
InChIInChI=1S/C16H25FN2O.ClH/c1-12(2)10-15(19-8-6-18-7-9-19)14-11-13(17)4-5-16(14)20-3;/h4-5,11-12,15,18H,6-10H2,1-3H3;1H/t15-;/m1./s1
InChIKeyHRIUJEBHFMQAMR-XFULWGLBSA-N
MW316.85 g/mol
LogP3.25
Rot. Bonds5

About 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride

1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride (PubChem CID 171170121) has the molecular formula C16H26ClFN2O and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
PubChem CID171170121
Molecular FormulaC16H26ClFN2O
Molecular Weight316.85 g/mol
Exact Mass316.17
IUPAC Name1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
SMILESCOc1ccc(F)cc1[C@@H](CC(C)C)N1CCNCC1.Cl
InChIInChI=1S/C16H25FN2O.ClH/c1-12(2)10-15(19-8-6-18-7-9-19)14-11-13(17)4-5-16(14)20-3;/h4-5,11-12,15,18H,6-10H2,1-3H3;1H/t15-;/m1./s1
InChIKeyHRIUJEBHFMQAMR-XFULWGLBSA-N
XLogP3.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171274130
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171164790
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171164755
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-[(1R)-1-(2-bromo-5-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171288505
(3R)-3-(5-fluoro-2-methoxyphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306811
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290387
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277762
4-fluoro-2-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171162803
1-[(1R)-1-(2-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287501
1-[(1S)-3-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171273831

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride (CID 171170121) is 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride is COc1ccc(F)cc1[C@@H](CC(C)C)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride?
The InChIKey is HRIUJEBHFMQAMR-XFULWGLBSA-N. The full InChI is InChI=1S/C16H25FN2O.ClH/c1-12(2)10-15(19-8-6-18-7-9-19)14-11-13(17)4-5-16(14)20-3;/h4-5,11-12,15,18H,6-10H2,1-3H3;1H/t15-;/m1./s1.
What are the key properties of 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride?
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride is sourced from PubChem (CID 171170121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).