1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride

C13H22Cl2N2 — CID 137346950

IUPAC1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
SMILESCc1cccc(CCN2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-12-3-2-4-13(11-12)5-8-15-9-6-14-7-10-15;;/h2-4,11,14H,5-10H2,1H3;2*1H
InChIKeyAHVQODBDEURECJ-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.29
Rot. Bonds3

About 1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride

1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 137346950) has the molecular formula C13H22Cl2N2 and a molecular weight of 277.24 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
PubChem CID137346950
Molecular FormulaC13H22Cl2N2
Molecular Weight277.24 g/mol
Exact Mass276.12
IUPAC Name1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
SMILESCc1cccc(CCN2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-12-3-2-4-13(11-12)5-8-15-9-6-14-7-10-15;;/h2-4,11,14H,5-10H2,1H3;2*1H
InChIKeyAHVQODBDEURECJ-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230156
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
3-(2-piperazin-1-ylethyl)aniline
CID 82071066
N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine
CID 117372136
1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine
CID 117389280
1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
CID 82295520
N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 63265575
1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 82092036
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride (CID 137346950) is 1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride is Cc1cccc(CCN2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is AHVQODBDEURECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.2ClH/c1-12-3-2-4-13(11-12)5-8-15-9-6-14-7-10-15;;/h2-4,11,14H,5-10H2,1H3;2*1H.
What are the key properties of 1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride?
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 277.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 137346950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).