1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol

C14H21NOS — CID 566535

IUPAC1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol
SMILESOC(CSc1ccccc1)CN1CCCCC1
InChIInChI=1S/C14H21NOS/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14/h1,3-4,7-8,13,16H,2,5-6,9-12H2
InChIKeyWVGGBPHANFJFIU-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.63
Rot. Bonds5

About 1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol

1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol (PubChem CID 566535) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol
PubChem CID566535
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol
SMILESOC(CSc1ccccc1)CN1CCCCC1
InChIInChI=1S/C14H21NOS/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14/h1,3-4,7-8,13,16H,2,5-6,9-12H2
InChIKeyWVGGBPHANFJFIU-UHFFFAOYSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(Phenylthio)butyl]morpholine hydrochloride
CID 2993739
2-[4-(2-Phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride
CID 6603494
2,6-Dimethyl-4-[4-(phenylthio)butyl]morpholine hydrochloride
CID 2993382
4-{2-[2-(Phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2993677
4-[2-(Phenylsulfanyl)ethyl]morpholine
CID 739875
2,6-Dimethyl-4-{2-[2-(phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2992886
2-[4-(2-Phenylsulfanylethyl)piperazin-1-yl]ethanol
CID 588768
2-(3,5-Dimethyl-1-piperidinyl)ethyl 2-(phenylsulfanyl)ethyl ether
CID 11836237
Piperidine, 1-(3-(phenylthio)propyl)-, monohydrochloride
CID 3038686
1-(Azepan-1-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 70684266
1-(Azepan-1-yl)-3-phenylsulfanylpropan-2-ol
CID 70692715
4-(4-Phenylsulfanylbutyl)morpholine
CID 2993740

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol (CID 566535) is 1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol is OC(CSc1ccccc1)CN1CCCCC1.
What is the InChIKey of 1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol?
The InChIKey is WVGGBPHANFJFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14/h1,3-4,7-8,13,16H,2,5-6,9-12H2.
What are the key properties of 1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol?
1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol has a molecular weight of 251.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanyl-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 566535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).