1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride

C17H26Cl3FN2 — CID 171275461

IUPAC1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(Cl)cc1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H24ClFN2.2ClH/c18-14-6-7-16(19)15(12-14)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
InChIKeyHLDOGAZXPOTWBE-RMRYJAPISA-N
MW383.77 g/mol
LogP4.85
Rot. Bonds3

About 1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride

1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride (PubChem CID 171275461) has the molecular formula C17H26Cl3FN2 and a molecular weight of 383.77 g/mol. Its IUPAC name is 1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
PubChem CID171275461
Molecular FormulaC17H26Cl3FN2
Molecular Weight383.77 g/mol
Exact Mass382.11
IUPAC Name1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(Cl)cc1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H24ClFN2.2ClH/c18-14-6-7-16(19)15(12-14)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
InChIKeyHLDOGAZXPOTWBE-RMRYJAPISA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.77
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
1-[(S)-cyclohexyl-(2-fluoro-5-iodophenyl)methyl]piperazine;dihydrochloride
CID 171284076
1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride
CID 171169463
1-[(S)-(5-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171275464
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
4-chloro-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171272117
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805
1-[(S)-cyclobutyl-(2-fluoro-5-iodophenyl)methyl]piperazine;hydrochloride
CID 171181497
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride (CID 171275461) is 1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc(Cl)cc1[C@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The InChIKey is HLDOGAZXPOTWBE-RMRYJAPISA-N. The full InChI is InChI=1S/C17H24ClFN2.2ClH/c18-14-6-7-16(19)15(12-14)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)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride has a molecular weight of 383.77 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171275461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).