1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol

C23H31NOS — CID 14810501

IUPAC1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCC(C)N1CC(O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOS/c1-18-10-9-11-19(2)24(18)16-22(25)17-26-23(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,18-19,22-23,25H,9-11,16-17H2,1-2H3
InChIKeyOCNUIQXAVRCMGG-UHFFFAOYSA-N
MW369.57 g/mol
LogP5.13
Rot. Bonds7

About 1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol

1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol (PubChem CID 14810501) has the molecular formula C23H31NOS and a molecular weight of 369.57 g/mol. Its IUPAC name is 1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
PubChem CID14810501
Molecular FormulaC23H31NOS
Molecular Weight369.57 g/mol
Exact Mass369.21
IUPAC Name1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCC(C)N1CC(O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOS/c1-18-10-9-11-19(2)24(18)16-22(25)17-26-23(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,18-19,22-23,25H,9-11,16-17H2,1-2H3
InChIKeyOCNUIQXAVRCMGG-UHFFFAOYSA-N
XLogP5.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.57
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol with MolForge

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Related Compounds

Diphemethoxidine
CID 65607
1-(4-(2-(Benzhydrylthio)ethyl)piperazin-1-yl)propan-2-ol
CID 90389625
1-(4-(2-((Bis(4-fluorophenyl)methyl)thio)ethyl)piperazin-1-yl)propan-2-ol
CID 90389439
1-(4-(2-(Benzhydrylsulfinyl)ethyl)piperazin-1-yl)propan-2-ol
CID 90389475
1-[4-[2-[Bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazin-1-yl]propan-2-ol
CID 90389592
(2R)-1-[(2S,6R)-4-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-2,6-dimethylpiperazin-1-yl]propan-2-ol
CID 150357964
1-[(2S,6R)-4-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-2,6-dimethylpiperazin-1-yl]propan-2-ol
CID 150357965
(2S)-1-[(2S,6R)-4-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-2,6-dimethylpiperazin-1-yl]propan-2-ol
CID 150357966
1-[(2S,6R)-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-2,6-dimethylpiperazin-1-yl]propan-2-ol
CID 155769418
1-Piperazineethanol, 4-(diphenylmethyl)-alpha-((phenylthio)methyl)-
CID 2809813
1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((phenylmethyl)thio)methyl)-
CID 3072722
2-[(2S,6R)-2,6-bis(2-phenylethyl)piperidin-1-yl]ethanol
CID 76311250

Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol (CID 14810501) is 1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol is CC1CCCC(C)N1CC(O)CSC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The InChIKey is OCNUIQXAVRCMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NOS/c1-18-10-9-11-19(2)24(18)16-22(25)17-26-23(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,18-19,22-23,25H,9-11,16-17H2,1-2H3.
What are the key properties of 1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol has a molecular weight of 369.57 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylsulfanyl-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 14810501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).