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

C13H22Cl2N2 — CID 171280303

IUPAC1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
SMILESCc1ccccc1[C@H](C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-11-5-3-4-6-13(11)12(2)15-9-7-14-8-10-15;;/h3-6,12,14H,7-10H2,1-2H3;2*1H/t12-;;/m0../s1
InChIKeyKOHSLQGGNMZWQJ-LTCKWSDVSA-N
MW277.24 g/mol
LogP2.80
Rot. Bonds2

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

1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171280303) has the molecular formula C13H22Cl2N2 and a molecular weight of 277.24 g/mol. Its IUPAC name is 1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171280303
Molecular FormulaC13H22Cl2N2
Molecular Weight277.24 g/mol
Exact Mass276.12
IUPAC Name1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
SMILESCc1ccccc1[C@H](C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-11-5-3-4-6-13(11)12(2)15-9-7-14-8-10-15;;/h3-6,12,14H,7-10H2,1-2H3;2*1H/t12-;;/m0../s1
InChIKeyKOHSLQGGNMZWQJ-LTCKWSDVSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
1-[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280306
1-[(1R)-1-(2-methylphenyl)propyl]piperazine
CID 92754595
1-[(1S)-1-(2,3-difluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
CID 171166576
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116960987
1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171277279
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine
CID 3900303

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride (CID 171280303) is 1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride is Cc1ccccc1[C@H](C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is KOHSLQGGNMZWQJ-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H20N2.2ClH/c1-11-5-3-4-6-13(11)12(2)15-9-7-14-8-10-15;;/h3-6,12,14H,7-10H2,1-2H3;2*1H/t12-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 277.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171280303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).