1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride

C16H24BrCl3N2 — CID 171276766

IUPAC1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@H](C2CCCC2)N2CCNCC2)c(Br)c1
InChIInChI=1S/C16H22BrClN2.2ClH/c17-15-11-13(18)5-6-14(15)16(12-3-1-2-4-12)20-9-7-19-8-10-20;;/h5-6,11-12,16,19H,1-4,7-10H2;2*1H/t16-;;/m0../s1
InChIKeyKEIHOSPXZLXELT-SQKCAUCHSA-N
MW430.65 g/mol
LogP5.08
Rot. Bonds3

About 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride

1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride (PubChem CID 171276766) has the molecular formula C16H24BrCl3N2 and a molecular weight of 430.65 g/mol. Its IUPAC name is 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
PubChem CID171276766
Molecular FormulaC16H24BrCl3N2
Molecular Weight430.65 g/mol
Exact Mass428.02
IUPAC Name1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@H](C2CCCC2)N2CCNCC2)c(Br)c1
InChIInChI=1S/C16H22BrClN2.2ClH/c17-15-11-13(18)5-6-14(15)16(12-3-1-2-4-12)20-9-7-19-8-10-20;;/h5-6,11-12,16,19H,1-4,7-10H2;2*1H/t16-;;/m0../s1
InChIKeyKEIHOSPXZLXELT-SQKCAUCHSA-N
XLogP5.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.65
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171276762
1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171289352
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(S)-(2-bromo-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163412
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-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168923
1-[(S)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171163387
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
4-chloro-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171272117

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride (CID 171276766) is 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc([C@H](C2CCCC2)N2CCNCC2)c(Br)c1.
What is the InChIKey of 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride?
The InChIKey is KEIHOSPXZLXELT-SQKCAUCHSA-N. The full InChI is InChI=1S/C16H22BrClN2.2ClH/c17-15-11-13(18)5-6-14(15)16(12-3-1-2-4-12)20-9-7-19-8-10-20;;/h5-6,11-12,16,19H,1-4,7-10H2;2*1H/t16-;;/m0../s1.
What are the key properties of 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride?
1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride has a molecular weight of 430.65 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).