1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride

C14H22ClFN2O — CID 171168816

IUPAC1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
SMILESCC[C@H](c1ccc(OC)c(F)c1)N1CCNCC1.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-3-13(17-8-6-16-7-9-17)11-4-5-14(18-2)12(15)10-11;/h4-5,10,13,16H,3,6-9H2,1-2H3;1H/t13-;/m1./s1
InChIKeyUZPBNNWQDSZVER-BTQNPOSSSA-N
MW288.79 g/mol
LogP2.61
Rot. Bonds4

About 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride

1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride (PubChem CID 171168816) has the molecular formula C14H22ClFN2O and a molecular weight of 288.79 g/mol. Its IUPAC name is 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
PubChem CID171168816
Molecular FormulaC14H22ClFN2O
Molecular Weight288.79 g/mol
Exact Mass288.14
IUPAC Name1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
SMILESCC[C@H](c1ccc(OC)c(F)c1)N1CCNCC1.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-3-13(17-8-6-16-7-9-17)11-4-5-14(18-2)12(15)10-11;/h4-5,10,13,16H,3,6-9H2,1-2H3;1H/t13-;/m1./s1
InChIKeyUZPBNNWQDSZVER-BTQNPOSSSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182335
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171163687
1-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165806
(3R)-3-(3-fluoro-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173484
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
CID 171163686
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171282575
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)but-3-enyl]piperazine;hydrochloride
CID 171168827
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171275015
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171287643
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304379

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride (CID 171168816) is 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride is CC[C@H](c1ccc(OC)c(F)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride?
The InChIKey is UZPBNNWQDSZVER-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H21FN2O.ClH/c1-3-13(17-8-6-16-7-9-17)11-4-5-14(18-2)12(15)10-11;/h4-5,10,13,16H,3,6-9H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of 1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride?
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride has a molecular weight of 288.79 g/mol, XLogP of 2.61, 4 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-4-methoxyphenyl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171168816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).