1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride

C17H27Cl3N2 — CID 171281574

IUPAC1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(C(C2CCCCC2)N2CCNCC2)cc1
InChIInChI=1S/C17H25ClN2.2ClH/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20;;/h6-9,14,17,19H,1-5,10-13H2;2*1H
InChIKeyZCLFAXDKDKNJNZ-UHFFFAOYSA-N
MW365.78 g/mol
LogP4.71
Rot. Bonds3

About 1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride

1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride (PubChem CID 171281574) has the molecular formula C17H27Cl3N2 and a molecular weight of 365.78 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
PubChem CID171281574
Molecular FormulaC17H27Cl3N2
Molecular Weight365.78 g/mol
Exact Mass364.12
IUPAC Name1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(C(C2CCCCC2)N2CCNCC2)cc1
InChIInChI=1S/C17H25ClN2.2ClH/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20;;/h6-9,14,17,19H,1-5,10-13H2;2*1H
InChIKeyZCLFAXDKDKNJNZ-UHFFFAOYSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876
1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride
CID 171281956
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride (CID 171281574) is 1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc(C(C2CCCCC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The InChIKey is ZCLFAXDKDKNJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2.2ClH/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20;;/h6-9,14,17,19H,1-5,10-13H2;2*1H.
What are the key properties of 1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride has a molecular weight of 365.78 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).