1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride

C17H26Cl4N2 — CID 171288565

IUPAC1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(Cl)c([C@@H](C2CCCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H24Cl2N2.2ClH/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-;;/m1../s1
InChIKeyTXEJKMDZFMTDQY-ZEECNFPPSA-N
MW400.22 g/mol
LogP5.36
Rot. Bonds3

About 1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride (PubChem CID 171288565) has the molecular formula C17H26Cl4N2 and a molecular weight of 400.22 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
PubChem CID171288565
Molecular FormulaC17H26Cl4N2
Molecular Weight400.22 g/mol
Exact Mass398.09
IUPAC Name1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(Cl)c([C@@H](C2CCCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H24Cl2N2.2ClH/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-;;/m1../s1
InChIKeyTXEJKMDZFMTDQY-ZEECNFPPSA-N
XLogP5.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.22
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclopropyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171275931
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(S)-(5-bromo-2-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171276894
1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
4-chloro-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171272117
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171171751
1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171289352
1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171276766
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride
CID 171292778

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride (CID 171288565) is 1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc(Cl)c([C@@H](C2CCCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride?
The InChIKey is TXEJKMDZFMTDQY-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H24Cl2N2.2ClH/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-;;/m1../s1.
What are the key properties of 1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride has a molecular weight of 400.22 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171288565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).