1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride

C17H28Cl2N2O — CID 171287093

IUPAC1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCCOc1ccc([C@@H](C2CCC2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C17H26N2O.2ClH/c1-2-20-16-8-6-15(7-9-16)17(14-4-3-5-14)19-12-10-18-11-13-19;;/h6-9,14,17-18H,2-5,10-13H2,1H3;2*1H/t17-;;/m1../s1
InChIKeyVSAVBYKSQYOWJP-ZEECNFPPSA-N
MW347.33 g/mol
LogP3.68
Rot. Bonds5

About 1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171287093) has the molecular formula C17H28Cl2N2O and a molecular weight of 347.33 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride
PubChem CID171287093
Molecular FormulaC17H28Cl2N2O
Molecular Weight347.33 g/mol
Exact Mass346.16
IUPAC Name1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCCOc1ccc([C@@H](C2CCC2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C17H26N2O.2ClH/c1-2-20-16-8-6-15(7-9-16)17(14-4-3-5-14)19-12-10-18-11-13-19;;/h6-9,14,17-18H,2-5,10-13H2,1H3;2*1H/t17-;;/m1../s1
InChIKeyVSAVBYKSQYOWJP-ZEECNFPPSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(R)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171290527
1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176375
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(S)-cyclobutyl-(3-ethoxy-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280900
1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876
1-[(S)-cyclobutyl-(4-phenoxyphenyl)methyl]piperazine
CID 171279707
1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171287082
1-[(S)-cyclobutyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180074
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
CID 171274564
1-[(R)-cyclopentyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171170921

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride (CID 171287093) is 1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride is CCOc1ccc([C@@H](C2CCC2)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is VSAVBYKSQYOWJP-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H26N2O.2ClH/c1-2-20-16-8-6-15(7-9-16)17(14-4-3-5-14)19-12-10-18-11-13-19;;/h6-9,14,17-18H,2-5,10-13H2,1H3;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 347.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).