1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride

C15H24ClFN2O — CID 171169097

IUPAC1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
SMILESCCOc1ccccc1[C@@H](CCF)N1CCNCC1.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-2-19-15-6-4-3-5-13(15)14(7-8-16)18-11-9-17-10-12-18;/h3-6,14,17H,2,7-12H2,1H3;1H/t14-;/m1./s1
InChIKeyBSCDQTSQTZWENJ-PFEQFJNWSA-N
MW302.82 g/mol
LogP2.81
Rot. Bonds6

About 1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride

1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride (PubChem CID 171169097) has the molecular formula C15H24ClFN2O and a molecular weight of 302.82 g/mol. Its IUPAC name is 1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
PubChem CID171169097
Molecular FormulaC15H24ClFN2O
Molecular Weight302.82 g/mol
Exact Mass302.16
IUPAC Name1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
SMILESCCOc1ccccc1[C@@H](CCF)N1CCNCC1.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-2-19-15-6-4-3-5-13(15)14(7-8-16)18-11-9-17-10-12-18;/h3-6,14,17H,2,7-12H2,1H3;1H/t14-;/m1./s1
InChIKeyBSCDQTSQTZWENJ-PFEQFJNWSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795
1-[(1S)-3-fluoro-1-[2-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171166620
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine
CID 171166965
2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 83979111
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride
CID 171168334
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
CID 171275572
1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295565
1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
CID 171288181

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride (CID 171169097) is 1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride is CCOc1ccccc1[C@@H](CCF)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride?
The InChIKey is BSCDQTSQTZWENJ-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H23FN2O.ClH/c1-2-19-15-6-4-3-5-13(15)14(7-8-16)18-11-9-17-10-12-18;/h3-6,14,17H,2,7-12H2,1H3;1H/t14-;/m1./s1.
What are the key properties of 1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride?
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride has a molecular weight of 302.82 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171169097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).