1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride

C15H22BrCl3N2 — CID 171289352

IUPAC1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(Br)c([C@@H](C2CCC2)N2CCNCC2)c1
InChIInChI=1S/C15H20BrClN2.2ClH/c16-14-5-4-12(17)10-13(14)15(11-2-1-3-11)19-8-6-18-7-9-19;;/h4-5,10-11,15,18H,1-3,6-9H2;2*1H/t15-;;/m1../s1
InChIKeyDDUMEAXQTZAIAJ-QCUBGVIVSA-N
MW416.62 g/mol
LogP4.69
Rot. Bonds3

About 1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride

1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride (PubChem CID 171289352) has the molecular formula C15H22BrCl3N2 and a molecular weight of 416.62 g/mol. Its IUPAC name is 1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
PubChem CID171289352
Molecular FormulaC15H22BrCl3N2
Molecular Weight416.62 g/mol
Exact Mass414.00
IUPAC Name1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(Br)c([C@@H](C2CCC2)N2CCNCC2)c1
InChIInChI=1S/C15H20BrClN2.2ClH/c16-14-5-4-12(17)10-13(14)15(11-2-1-3-11)19-8-6-18-7-9-19;;/h4-5,10-11,15,18H,1-3,6-9H2;2*1H/t15-;;/m1../s1
InChIKeyDDUMEAXQTZAIAJ-QCUBGVIVSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.62
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171276766
1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171276762
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[(R)-[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine;dihydrochloride
CID 171291596
1-[(S)-cyclopropyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171275931
1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288497
4-chloro-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171272117
1-[(R)-(2-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171169175
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride (CID 171289352) is 1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc(Br)c([C@@H](C2CCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride?
The InChIKey is DDUMEAXQTZAIAJ-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H20BrClN2.2ClH/c16-14-5-4-12(17)10-13(14)15(11-2-1-3-11)19-8-6-18-7-9-19;;/h4-5,10-11,15,18H,1-3,6-9H2;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride?
1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride has a molecular weight of 416.62 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).