1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride

C21H30Cl2N2O — CID 171292440

IUPAC1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
SMILESCc1ccc([C@@H](C2CCOCC2)N2CCNCC2)c2ccccc12.Cl.Cl
InChIInChI=1S/C21H28N2O.2ClH/c1-16-6-7-20(19-5-3-2-4-18(16)19)21(17-8-14-24-15-9-17)23-12-10-22-11-13-23;;/h2-7,17,21-22H,8-15H2,1H3;2*1H/t21-;;/m1../s1
InChIKeyDDSROYSJEMYFLX-GHVWMZMZSA-N
MW397.39 g/mol
LogP4.36
Rot. Bonds3

About 1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride

1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride (PubChem CID 171292440) has the molecular formula C21H30Cl2N2O and a molecular weight of 397.39 g/mol. Its IUPAC name is 1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
PubChem CID171292440
Molecular FormulaC21H30Cl2N2O
Molecular Weight397.39 g/mol
Exact Mass396.17
IUPAC Name1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
SMILESCc1ccc([C@@H](C2CCOCC2)N2CCNCC2)c2ccccc12.Cl.Cl
InChIInChI=1S/C21H28N2O.2ClH/c1-16-6-7-20(19-5-3-2-4-18(16)19)21(17-8-14-24-15-9-17)23-12-10-22-11-13-23;;/h2-7,17,21-22H,8-15H2,1H3;2*1H/t21-;;/m1../s1
InChIKeyDDSROYSJEMYFLX-GHVWMZMZSA-N
XLogP4.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171281433
1-[(S)-(2,3-difluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171280426
1-[(R)-(2-iodophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171293298
1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole
CID 171291370
1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286451
1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171292446
1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171282623
1-[(R)-(2-bromo-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171288124
1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171287989
1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
CID 171284275
3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]benzene-1,2-diol;dihydrochloride
CID 171287326
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride
CID 171292394

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride (CID 171292440) is 1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride is Cc1ccc([C@@H](C2CCOCC2)N2CCNCC2)c2ccccc12.Cl.Cl.
What is the InChIKey of 1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride?
The InChIKey is DDSROYSJEMYFLX-GHVWMZMZSA-N. The full InChI is InChI=1S/C21H28N2O.2ClH/c1-16-6-7-20(19-5-3-2-4-18(16)19)21(17-8-14-24-15-9-17)23-12-10-22-11-13-23;;/h2-7,17,21-22H,8-15H2,1H3;2*1H/t21-;;/m1../s1.
What are the key properties of 1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride?
1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride has a molecular weight of 397.39 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).