1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride

C16H24Cl4N2 — CID 171274925

IUPAC1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@H](C2CCCC2)N2CCNCC2)cc1Cl
InChIInChI=1S/C16H22Cl2N2.2ClH/c17-14-6-5-13(11-15(14)18)16(12-3-1-2-4-12)20-9-7-19-8-10-20;;/h5-6,11-12,16,19H,1-4,7-10H2;2*1H/t16-;;/m0../s1
InChIKeyVVNGSBIFLFSAFJ-SQKCAUCHSA-N
MW386.19 g/mol
LogP4.97
Rot. Bonds3

About 1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride

1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride (PubChem CID 171274925) has the molecular formula C16H24Cl4N2 and a molecular weight of 386.19 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
PubChem CID171274925
Molecular FormulaC16H24Cl4N2
Molecular Weight386.19 g/mol
Exact Mass384.07
IUPAC Name1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@H](C2CCCC2)N2CCNCC2)cc1Cl
InChIInChI=1S/C16H22Cl2N2.2ClH/c17-14-6-5-13(11-15(14)18)16(12-3-1-2-4-12)20-9-7-19-8-10-20;;/h5-6,11-12,16,19H,1-4,7-10H2;2*1H/t16-;;/m0../s1
InChIKeyVVNGSBIFLFSAFJ-SQKCAUCHSA-N
XLogP4.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine
CID 171180022
1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283648
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride (CID 171274925) is 1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc([C@H](C2CCCC2)N2CCNCC2)cc1Cl.
What is the InChIKey of 1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride?
The InChIKey is VVNGSBIFLFSAFJ-SQKCAUCHSA-N. The full InChI is InChI=1S/C16H22Cl2N2.2ClH/c17-14-6-5-13(11-15(14)18)16(12-3-1-2-4-12)20-9-7-19-8-10-20;;/h5-6,11-12,16,19H,1-4,7-10H2;2*1H/t16-;;/m0../s1.
What are the key properties of 1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride has a molecular weight of 386.19 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171274925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).