1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride

C14H24Cl2N2O — CID 171287082

IUPAC1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCCOc1ccc([C@@H](C)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C14H22N2O.2ClH/c1-3-17-14-6-4-13(5-7-14)12(2)16-10-8-15-9-11-16;;/h4-7,12,15H,3,8-11H2,1-2H3;2*1H/t12-;;/m1../s1
InChIKeyDBHSUCYPEMILGN-CURYUGHLSA-N
MW307.27 g/mol
LogP2.90
Rot. Bonds4

About 1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171287082) has the molecular formula C14H24Cl2N2O and a molecular weight of 307.27 g/mol. Its IUPAC name is 1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171287082
Molecular FormulaC14H24Cl2N2O
Molecular Weight307.27 g/mol
Exact Mass306.13
IUPAC Name1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCCOc1ccc([C@@H](C)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C14H22N2O.2ClH/c1-3-17-14-6-4-13(5-7-14)12(2)16-10-8-15-9-11-16;;/h4-7,12,15H,3,8-11H2,1-2H3;2*1H/t12-;;/m1../s1
InChIKeyDBHSUCYPEMILGN-CURYUGHLSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-ethoxyphenyl)propyl]piperazine
CID 3597592
1-[(1R)-1-(4-ethoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171287107
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287093
(3S)-3-(4-ethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305873
1-[(1R)-1-(4-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307483
1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine
CID 82296699
1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171287098
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
4-[(1R)-1-piperazin-1-ylethyl]benzonitrile
CID 93464434
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride (CID 171287082) is 1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride is CCOc1ccc([C@@H](C)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is DBHSUCYPEMILGN-CURYUGHLSA-N. The full InChI is InChI=1S/C14H22N2O.2ClH/c1-3-17-14-6-4-13(5-7-14)12(2)16-10-8-15-9-11-16;;/h4-7,12,15H,3,8-11H2,1-2H3;2*1H/t12-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 307.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).