1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride

C15H26Cl2N2O — CID 171286917

IUPAC1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccccc1OC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-3-6-14(17-11-9-16-10-12-17)13-7-4-5-8-15(13)18-2;;/h4-5,7-8,14,16H,3,6,9-12H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyHKCLDZMITXLSMQ-FMOMHUKBSA-N
MW321.29 g/mol
LogP3.29
Rot. Bonds5

About 1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride

1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride (PubChem CID 171286917) has the molecular formula C15H26Cl2N2O and a molecular weight of 321.29 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
PubChem CID171286917
Molecular FormulaC15H26Cl2N2O
Molecular Weight321.29 g/mol
Exact Mass320.14
IUPAC Name1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccccc1OC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-3-6-14(17-11-9-16-10-12-17)13-7-4-5-8-15(13)18-2;;/h4-5,7-8,14,16H,3,6,9-12H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyHKCLDZMITXLSMQ-FMOMHUKBSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
CID 171164843
1-[(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171302441
1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
CID 171284290
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295565
1-[(1S)-1-(2-iodophenyl)butyl]piperazine
CID 171280679
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171287847
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295603
2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol
CID 171296646
1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163017
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride (CID 171286917) is 1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride is CCC[C@H](c1ccccc1OC)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride?
The InChIKey is HKCLDZMITXLSMQ-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H24N2O.2ClH/c1-3-6-14(17-11-9-16-10-12-17)13-7-4-5-8-15(13)18-2;;/h4-5,7-8,14,16H,3,6,9-12H2,1-2H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride has a molecular weight of 321.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171286917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).