1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride

C14H24Cl2N2O — CID 171275548

IUPAC1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCCOc1ccccc1[C@H](C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22N2O.2ClH/c1-3-17-14-7-5-4-6-13(14)12(2)16-10-8-15-9-11-16;;/h4-7,12,15H,3,8-11H2,1-2H3;2*1H/t12-;;/m0../s1
InChIKeyOHQJZTCNTGXXEX-LTCKWSDVSA-N
MW307.27 g/mol
LogP2.90
Rot. Bonds4

About 1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride

1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171275548) has the molecular formula C14H24Cl2N2O and a molecular weight of 307.27 g/mol. Its IUPAC name is 1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171275548
Molecular FormulaC14H24Cl2N2O
Molecular Weight307.27 g/mol
Exact Mass306.13
IUPAC Name1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCCOc1ccccc1[C@H](C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22N2O.2ClH/c1-3-17-14-7-5-4-6-13(14)12(2)16-10-8-15-9-11-16;;/h4-7,12,15H,3,8-11H2,1-2H3;2*1H/t12-;;/m0../s1
InChIKeyOHQJZTCNTGXXEX-LTCKWSDVSA-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-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
CID 171288181
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
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1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine
CID 3742579
(3R)-3-(2-ethoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189996
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
1-[1-(2-ethoxyphenyl)ethyl]piperidin-4-amine
CID 43130865
2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 83979111
1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
CID 171275572
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride (CID 171275548) is 1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride is CCOc1ccccc1[C@H](C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is OHQJZTCNTGXXEX-LTCKWSDVSA-N. The full InChI is InChI=1S/C14H22N2O.2ClH/c1-3-17-14-7-5-4-6-13(14)12(2)16-10-8-15-9-11-16;;/h4-7,12,15H,3,8-11H2,1-2H3;2*1H/t12-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-1-(2-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-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171275548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).