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

C14H21ClF2N2O — CID 171170190

IUPAC1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
SMILESCOc1ccc(F)cc1[C@@H](CCF)N1CCNCC1.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-19-14-3-2-11(16)10-12(14)13(4-5-15)18-8-6-17-7-9-18;/h2-3,10,13,17H,4-9H2,1H3;1H/t13-;/m1./s1
InChIKeyKLTJYDRVKSTZKC-BTQNPOSSSA-N
MW306.78 g/mol
LogP2.56
Rot. Bonds5

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

1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride (PubChem CID 171170190) has the molecular formula C14H21ClF2N2O and a molecular weight of 306.78 g/mol. Its IUPAC name is 1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
PubChem CID171170190
Molecular FormulaC14H21ClF2N2O
Molecular Weight306.78 g/mol
Exact Mass306.13
IUPAC Name1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
SMILESCOc1ccc(F)cc1[C@@H](CCF)N1CCNCC1.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-19-14-3-2-11(16)10-12(14)13(4-5-15)18-8-6-17-7-9-18;/h2-3,10,13,17H,4-9H2,1H3;1H/t13-;/m1./s1
InChIKeyKLTJYDRVKSTZKC-BTQNPOSSSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(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
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171170121
1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170313
(3R)-3-(5-fluoro-2-methoxyphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306811
1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine
CID 171164488
1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163017
1-[(1R)-3-fluoro-1-[2-methoxy-5-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171171231
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
CID 171168476

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride (CID 171170190) is 1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride is COc1ccc(F)cc1[C@@H](CCF)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride?
The InChIKey is KLTJYDRVKSTZKC-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20F2N2O.ClH/c1-19-14-3-2-11(16)10-12(14)13(4-5-15)18-8-6-17-7-9-18;/h2-3,10,13,17H,4-9H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride?
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride has a molecular weight of 306.78 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171170190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).