1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride

C19H34Cl2N2S — CID 171308376

IUPAC1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1ccccc1SC(C)(C)C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H32N2S.2ClH/c1-5-6-10-17(21-14-12-20-13-15-21)16-9-7-8-11-18(16)22-19(2,3)4;;/h7-9,11,17,20H,5-6,10,12-15H2,1-4H3;2*1H/t17-;;/m1../s1
InChIKeyWSALVQYSPQHMTR-ZEECNFPPSA-N
MW393.47 g/mol
LogP5.56
Rot. Bonds6

About 1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride

1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171308376) has the molecular formula C19H34Cl2N2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride
PubChem CID171308376
Molecular FormulaC19H34Cl2N2S
Molecular Weight393.47 g/mol
Exact Mass392.18
IUPAC Name1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1ccccc1SC(C)(C)C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H32N2S.2ClH/c1-5-6-10-17(21-14-12-20-13-15-21)16-9-7-8-11-18(16)22-19(2,3)4;;/h7-9,11,17,20H,5-6,10,12-15H2,1-4H3;2*1H/t17-;;/m1../s1
InChIKeyWSALVQYSPQHMTR-ZEECNFPPSA-N
XLogP5.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.47
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(2-tert-butylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303139
1-[(1S)-1-(2-tert-butylsulfanylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171181349
1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309199
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505
2-[(1R)-1-piperazin-1-ylpentyl]benzonitrile;dihydrochloride
CID 171307585
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
(4R)-4-piperazin-1-yl-4-[2-(trifluoromethylsulfanyl)phenyl]butan-1-ol
CID 171173999
1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
CID 171308868
1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine
CID 171307626
1-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263
1-[(1S)-1-phenanthren-9-ylpentyl]piperazine;dihydrochloride
CID 171309540
(3S)-3-(2-tert-butylsulfanylphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190872

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride (CID 171308376) is 1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride is CCCC[C@H](c1ccccc1SC(C)(C)C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is WSALVQYSPQHMTR-ZEECNFPPSA-N. The full InChI is InChI=1S/C19H32N2S.2ClH/c1-5-6-10-17(21-14-12-20-13-15-21)16-9-7-8-11-18(16)22-19(2,3)4;;/h7-9,11,17,20H,5-6,10,12-15H2,1-4H3;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 393.47 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-tert-butylsulfanylphenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).