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

C16H24Br2Cl2N2 — CID 171283648

IUPAC1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
SMILESBrc1ccc([C@H](C2CCCC2)N2CCNCC2)cc1Br.Cl.Cl
InChIInChI=1S/C16H22Br2N2.2ClH/c17-14-6-5-13(11-15(14)18)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
InChIKeyNUQWRKWVVJAMKO-SQKCAUCHSA-N
MW475.10 g/mol
LogP5.19
Rot. Bonds3

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

1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride (PubChem CID 171283648) has the molecular formula C16H24Br2Cl2N2 and a molecular weight of 475.10 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
PubChem CID171283648
Molecular FormulaC16H24Br2Cl2N2
Molecular Weight475.10 g/mol
Exact Mass471.97
IUPAC Name1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
SMILESBrc1ccc([C@H](C2CCCC2)N2CCNCC2)cc1Br.Cl.Cl
InChIInChI=1S/C16H22Br2N2.2ClH/c17-14-6-5-13(11-15(14)18)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
InChIKeyNUQWRKWVVJAMKO-SQKCAUCHSA-N
XLogP5.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.10
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(S)-cyclopentyl-(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-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(S)-(3-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine;hydrochloride
CID 171164020
1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171163455
1-[(R)-(3-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171289449
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride (CID 171283648) is 1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride is Brc1ccc([C@H](C2CCCC2)N2CCNCC2)cc1Br.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride?
The InChIKey is NUQWRKWVVJAMKO-SQKCAUCHSA-N. The full InChI is InChI=1S/C16H22Br2N2.2ClH/c17-14-6-5-13(11-15(14)18)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)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride has a molecular weight of 475.10 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171283648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).