1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride

C14H24Cl2N2O — CID 171295224

IUPAC1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@@H](C)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C14H22N2O.2ClH/c1-11-10-13(17-3)4-5-14(11)12(2)16-8-6-15-7-9-16;;/h4-5,10,12,15H,6-9H2,1-3H3;2*1H/t12-;;/m1../s1
InChIKeyHJNTZTWPMSENRJ-CURYUGHLSA-N
MW307.27 g/mol
LogP2.81
Rot. Bonds3

About 1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171295224) has the molecular formula C14H24Cl2N2O and a molecular weight of 307.27 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171295224
Molecular FormulaC14H24Cl2N2O
Molecular Weight307.27 g/mol
Exact Mass306.13
IUPAC Name1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@@H](C)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C14H22N2O.2ClH/c1-11-10-13(17-3)4-5-14(11)12(2)16-8-6-15-7-9-16;;/h4-5,10,12,15H,6-9H2,1-3H3;2*1H/t12-;;/m1../s1
InChIKeyHJNTZTWPMSENRJ-CURYUGHLSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[(1R)-1-(4-methoxy-2-methylphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295252
1-[(1S)-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171166365
1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171290106
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine
CID 171295226
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171167300
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282622
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171309604
1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
CID 171177753

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride (CID 171295224) is 1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride is COc1ccc([C@@H](C)N2CCNCC2)c(C)c1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is HJNTZTWPMSENRJ-CURYUGHLSA-N. The full InChI is InChI=1S/C14H22N2O.2ClH/c1-11-10-13(17-3)4-5-14(11)12(2)16-8-6-15-7-9-16;;/h4-5,10,12,15H,6-9H2,1-3H3;2*1H/t12-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 307.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).