1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol

C27H32N2OS — CID 3072738

IUPAC1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
SMILESOC(CSc1ccccc1)CN1CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H32N2OS/c30-25(22-31-26-14-8-3-9-15-26)20-28-16-18-29(19-17-28)21-27(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-15,25,27,30H,16-22H2
InChIKeyZWVRSXWSCRKTPE-UHFFFAOYSA-N
MW432.63 g/mol
LogP4.59
Rot. Bonds9

About 1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol

1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol (PubChem CID 3072738) has the molecular formula C27H32N2OS and a molecular weight of 432.63 g/mol. Its IUPAC name is 1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
PubChem CID3072738
Molecular FormulaC27H32N2OS
Molecular Weight432.63 g/mol
Exact Mass432.22
IUPAC Name1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
SMILESOC(CSc1ccccc1)CN1CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H32N2OS/c30-25(22-31-26-14-8-3-9-15-26)20-28-16-18-29(19-17-28)21-27(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-15,25,27,30H,16-22H2
InChIKeyZWVRSXWSCRKTPE-UHFFFAOYSA-N
XLogP4.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(2-(Benzhydrylthio)ethyl)piperazin-1-yl)propan-2-ol
CID 90389625
1-(4-(2-(Benzhydrylsulfinyl)ethyl)piperazin-1-yl)-3-phenylpropan-2-ol
CID 118643965
1-(4-(2-((Bis(4-fluorophenyl)methyl)thio)ethyl)piperazin-1-yl)-3-phenylpropan-2-ol
CID 118643966
1-(4-(2-(Benzhydrylthio)ethyl)piperazin-1-yl)-3-phenylpropan-2-ol
CID 118643972
1-Piperazineethanol, 4-(diphenylmethyl)-alpha-((phenylthio)methyl)-
CID 2809813
1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-
CID 3072704
Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)-
CID 3072706
1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, acetate(ester)
CID 3072708
1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((phenylmethyl)thio)methyl)-
CID 3072722
(2R)-1-[4-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 156018299
(2S)-1-[4-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 156020392
1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, dihydrochloride
CID 3072705

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol (CID 3072738) is 1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol is OC(CSc1ccccc1)CN1CCN(CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol?
The InChIKey is ZWVRSXWSCRKTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2OS/c30-25(22-31-26-14-8-3-9-15-26)20-28-16-18-29(19-17-28)21-27(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-15,25,27,30H,16-22H2.
What are the key properties of 1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol?
1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol has a molecular weight of 432.63 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 3072738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).