1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride

C17H29Cl2FN2O — CID 171310774

IUPAC1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCOc1c(F)cccc1[C@@H](CCC(C)C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H27FN2O.2ClH/c1-13(2)7-8-16(20-11-9-19-10-12-20)14-5-4-6-15(18)17(14)21-3;;/h4-6,13,16,19H,7-12H2,1-3H3;2*1H/t16-;;/m1../s1
InChIKeyXJUZQSJOIPPWET-GGMCWBHBSA-N
MW367.34 g/mol
LogP4.06
Rot. Bonds6

About 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride

1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride (PubChem CID 171310774) has the molecular formula C17H29Cl2FN2O and a molecular weight of 367.34 g/mol. Its IUPAC name is 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
PubChem CID171310774
Molecular FormulaC17H29Cl2FN2O
Molecular Weight367.34 g/mol
Exact Mass366.16
IUPAC Name1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
SMILESCOc1c(F)cccc1[C@@H](CCC(C)C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H27FN2O.2ClH/c1-13(2)7-8-16(20-11-9-19-10-12-20)14-5-4-6-15(18)17(14)21-3;;/h4-6,13,16,19H,7-12H2,1-3H3;2*1H/t16-;;/m1../s1
InChIKeyXJUZQSJOIPPWET-GGMCWBHBSA-N
XLogP4.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171287847
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 171287830
(2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174278
1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171163509
1-[(1S)-1-(2-bromo-3-fluorophenyl)-4-methylpentyl]piperazine
CID 171310131
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine
CID 171168874
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304391
1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311328
1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163017
1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
CID 171168476
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310391
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride (CID 171310774) is 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride is COc1c(F)cccc1[C@@H](CCC(C)C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride?
The InChIKey is XJUZQSJOIPPWET-GGMCWBHBSA-N. The full InChI is InChI=1S/C17H27FN2O.2ClH/c1-13(2)7-8-16(20-11-9-19-10-12-20)14-5-4-6-15(18)17(14)21-3;;/h4-6,13,16,19H,7-12H2,1-3H3;2*1H/t16-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride has a molecular weight of 367.34 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171310774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).