1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine

C17H26N2O2 — CID 171286297

IUPAC1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)cc([C@@H](C2CCC2)N2CCNCC2)c1
InChIInChI=1S/C17H26N2O2/c1-20-15-10-14(11-16(12-15)21-2)17(13-4-3-5-13)19-8-6-18-7-9-19/h10-13,17-18H,3-9H2,1-2H3/t17-/m1/s1
InChIKeyISZFAZPHNQBUED-QGZVFWFLSA-N
MW290.41 g/mol
LogP2.45
Rot. Bonds5

About 1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine

1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine (PubChem CID 171286297) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine
PubChem CID171286297
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)cc([C@@H](C2CCC2)N2CCNCC2)c1
InChIInChI=1S/C17H26N2O2/c1-20-15-10-14(11-16(12-15)21-2)17(13-4-3-5-13)19-8-6-18-7-9-19/h10-13,17-18H,3-9H2,1-2H3/t17-/m1/s1
InChIKeyISZFAZPHNQBUED-QGZVFWFLSA-N
XLogP2.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(3,5-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171286306
1-[(S)-(3,5-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171273678
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine
CID 171178059
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286716
1-[(S)-cyclohexyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 171273636
2-bromo-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171301210
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine
CID 171288154
2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride
CID 171296192

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine (CID 171286297) is 1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine is COc1cc(OC)cc([C@@H](C2CCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine?
The InChIKey is ISZFAZPHNQBUED-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-15-10-14(11-16(12-15)21-2)17(13-4-3-5-13)19-8-6-18-7-9-19/h10-13,17-18H,3-9H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine?
1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine has a molecular weight of 290.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171286297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).