1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride

C17H26Br2Cl2N2 — CID 171283650

IUPAC1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
SMILESBrc1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1Br.Cl.Cl
InChIInChI=1S/C17H24Br2N2.2ClH/c18-15-7-6-14(12-16(15)19)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21;;/h6-7,12-13,17,20H,1-5,8-11H2;2*1H/t17-;;/m0../s1
InChIKeyDCDSYFNHPILALT-RMRYJAPISA-N
MW489.12 g/mol
LogP5.58
Rot. Bonds3

About 1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride

1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride (PubChem CID 171283650) has the molecular formula C17H26Br2Cl2N2 and a molecular weight of 489.12 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
PubChem CID171283650
Molecular FormulaC17H26Br2Cl2N2
Molecular Weight489.12 g/mol
Exact Mass485.98
IUPAC Name1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
SMILESBrc1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1Br.Cl.Cl
InChIInChI=1S/C17H24Br2N2.2ClH/c18-15-7-6-14(12-16(15)19)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21;;/h6-7,12-13,17,20H,1-5,8-11H2;2*1H/t17-;;/m0../s1
InChIKeyDCDSYFNHPILALT-RMRYJAPISA-N
XLogP5.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.12
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283648
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171163455
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine
CID 171287522
1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288497

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride (CID 171283650) is 1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride is Brc1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1Br.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride?
The InChIKey is DCDSYFNHPILALT-RMRYJAPISA-N. The full InChI is InChI=1S/C17H24Br2N2.2ClH/c18-15-7-6-14(12-16(15)19)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21;;/h6-7,12-13,17,20H,1-5,8-11H2;2*1H/t17-;;/m0../s1.
What are the key properties of 1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride has a molecular weight of 489.12 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171283650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).