1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride

C17H26BrCl2FN2 — CID 171289324

IUPAC1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1c(Br)cccc1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H24BrFN2.2ClH/c18-15-8-4-7-14(16(15)19)17(13-5-2-1-3-6-13)21-11-9-20-10-12-21;;/h4,7-8,13,17,20H,1-3,5-6,9-12H2;2*1H/t17-;;/m1../s1
InChIKeyREVBMKPWLWQCCC-ZEECNFPPSA-N
MW428.22 g/mol
LogP4.96
Rot. Bonds3

About 1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride

1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride (PubChem CID 171289324) has the molecular formula C17H26BrCl2FN2 and a molecular weight of 428.22 g/mol. Its IUPAC name is 1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
PubChem CID171289324
Molecular FormulaC17H26BrCl2FN2
Molecular Weight428.22 g/mol
Exact Mass426.06
IUPAC Name1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1c(Br)cccc1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H24BrFN2.2ClH/c18-15-8-4-7-14(16(15)19)17(13-5-2-1-3-6-13)21-11-9-20-10-12-21;;/h4,7-8,13,17,20H,1-3,5-6,9-12H2;2*1H/t17-;;/m1../s1
InChIKeyREVBMKPWLWQCCC-ZEECNFPPSA-N
XLogP4.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.22
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol
CID 171275973
1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
CID 171175923
3-bromo-6-[(S)-cyclohexyl(piperazin-1-yl)methyl]-2-fluorophenol;dihydrochloride
CID 171297376
1-[(S)-cyclohexyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164946
3-bromo-6-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol
CID 171299852
1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288497
1-[(S)-(2-bromo-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163412
3-bromo-6-[(S)-cyclobutyl(piperazin-1-yl)methyl]-2-fluorophenol;dihydrochloride
CID 171297372
1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine
CID 171289598
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171168242
1-[(S)-(3-bromo-2,6-difluorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171277699
1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine
CID 171164909

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride (CID 171289324) is 1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride is Cl.Cl.Fc1c(Br)cccc1[C@@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The InChIKey is REVBMKPWLWQCCC-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H24BrFN2.2ClH/c18-15-8-4-7-14(16(15)19)17(13-5-2-1-3-6-13)21-11-9-20-10-12-21;;/h4,7-8,13,17,20H,1-3,5-6,9-12H2;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride has a molecular weight of 428.22 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).