1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride

C17H28Cl2N2O — CID 171282616

IUPAC1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@H](C2CCC2)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C17H26N2O.2ClH/c1-13-12-15(20-2)6-7-16(13)17(14-4-3-5-14)19-10-8-18-9-11-19;;/h6-7,12,14,17-18H,3-5,8-11H2,1-2H3;2*1H/t17-;;/m0../s1
InChIKeyJGDDAAYPOJBEME-RMRYJAPISA-N
MW347.33 g/mol
LogP3.59
Rot. Bonds4

About 1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride

1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171282616) has the molecular formula C17H28Cl2N2O and a molecular weight of 347.33 g/mol. Its IUPAC name is 1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
PubChem CID171282616
Molecular FormulaC17H28Cl2N2O
Molecular Weight347.33 g/mol
Exact Mass346.16
IUPAC Name1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@H](C2CCC2)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C17H26N2O.2ClH/c1-13-12-15(20-2)6-7-16(13)17(14-4-3-5-14)19-10-8-18-9-11-19;;/h6-7,12,14,17-18H,3-5,8-11H2,1-2H3;2*1H/t17-;;/m0../s1
InChIKeyJGDDAAYPOJBEME-RMRYJAPISA-N
XLogP3.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171282623
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(R)-cyclobutyl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292074
1-[(S)-cyclobutyl-(4-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171275263
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol
CID 171274434
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride
CID 171275901
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
1-[(R)-cyclobutyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296970
1-[(S)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171274767

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride (CID 171282616) is 1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride is COc1ccc([C@H](C2CCC2)N2CCNCC2)c(C)c1.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is JGDDAAYPOJBEME-RMRYJAPISA-N. The full InChI is InChI=1S/C17H26N2O.2ClH/c1-13-12-15(20-2)6-7-16(13)17(14-4-3-5-14)19-10-8-18-9-11-19;;/h6-7,12,14,17-18H,3-5,8-11H2,1-2H3;2*1H/t17-;;/m0../s1.
What are the key properties of 1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 347.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171282616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).