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

C14H20BrCl3N2 — CID 171276762

IUPAC1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@H](C2CC2)N2CCNCC2)c(Br)c1
InChIInChI=1S/C14H18BrClN2.2ClH/c15-13-9-11(16)3-4-12(13)14(10-1-2-10)18-7-5-17-6-8-18;;/h3-4,9-10,14,17H,1-2,5-8H2;2*1H/t14-;;/m0../s1
InChIKeyDAIZDTHIZDNRER-UTLKBRERSA-N
MW402.59 g/mol
LogP4.30
Rot. Bonds3

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

1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride (PubChem CID 171276762) has the molecular formula C14H20BrCl3N2 and a molecular weight of 402.59 g/mol. Its IUPAC name is 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
PubChem CID171276762
Molecular FormulaC14H20BrCl3N2
Molecular Weight402.59 g/mol
Exact Mass399.99
IUPAC Name1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@H](C2CC2)N2CCNCC2)c(Br)c1
InChIInChI=1S/C14H18BrClN2.2ClH/c15-13-9-11(16)3-4-12(13)14(10-1-2-10)18-7-5-17-6-8-18;;/h3-4,9-10,14,17H,1-2,5-8H2;2*1H/t14-;;/m0../s1
InChIKeyDAIZDTHIZDNRER-UTLKBRERSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.59
LogP ≤ 54.30
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-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171289352
1-[(S)-cyclopropyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171275931
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012
1-[(S)-(2-bromo-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163412
1-[(S)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171163387
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(R)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168923

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride (CID 171276762) is 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc([C@H](C2CC2)N2CCNCC2)c(Br)c1.
What is the InChIKey of 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride?
The InChIKey is DAIZDTHIZDNRER-UTLKBRERSA-N. The full InChI is InChI=1S/C14H18BrClN2.2ClH/c15-13-9-11(16)3-4-12(13)14(10-1-2-10)18-7-5-17-6-8-18;;/h3-4,9-10,14,17H,1-2,5-8H2;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride?
1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride has a molecular weight of 402.59 g/mol, XLogP of 4.30, 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)-cyclopropylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).