1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride

C17H26Cl4N2 — CID 171287555

IUPAC1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@@H](C2CCCCC2)N2CCNCC2)cc1Cl
InChIInChI=1S/C17H24Cl2N2.2ClH/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-;;/m1../s1
InChIKeyNYGPTGKUKWSDLZ-ZEECNFPPSA-N
MW400.22 g/mol
LogP5.36
Rot. Bonds3

About 1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride (PubChem CID 171287555) has the molecular formula C17H26Cl4N2 and a molecular weight of 400.22 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
PubChem CID171287555
Molecular FormulaC17H26Cl4N2
Molecular Weight400.22 g/mol
Exact Mass398.09
IUPAC Name1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@@H](C2CCCCC2)N2CCNCC2)cc1Cl
InChIInChI=1S/C17H24Cl2N2.2ClH/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-;;/m1../s1
InChIKeyNYGPTGKUKWSDLZ-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)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine
CID 171180022
1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283648
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine
CID 171287522

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride (CID 171287555) is 1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc([C@@H](C2CCCCC2)N2CCNCC2)cc1Cl.
What is the InChIKey of 1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride?
The InChIKey is NYGPTGKUKWSDLZ-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H24Cl2N2.2ClH/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-;;/m1../s1.
What are the key properties of 1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclohexyl-(3,4-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-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).