trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol

C17H25NO — CID 73350360

IUPACtrans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol
SMILES[3H]C1CC[C@@H](N2CCC(c3ccccc3)CC2)[C@H](O)C1[3H]
InChIInChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1/i5T,9T/t5?,9?,16-,17-
InChIKeyYSSBJODGIYRAMI-ALMKSMPFSA-N
MW263.41 g/mol
LogP3.17
Rot. Bonds2

About trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol

trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol (PubChem CID 73350360) has the molecular formula C17H25NO and a molecular weight of 263.41 g/mol. Its IUPAC name is trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol
PubChem CID73350360
Molecular FormulaC17H25NO
Molecular Weight263.41 g/mol
Exact Mass263.21
IUPAC Nametrans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol
SMILES[3H]C1CC[C@@H](N2CCC(c3ccccc3)CC2)[C@H](O)C1[3H]
InChIInChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1/i5T,9T/t5?,9?,16-,17-
InChIKeyYSSBJODGIYRAMI-ALMKSMPFSA-N
XLogP3.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840
[3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 54466721
(2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 170928333
(1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol
CID 175542563
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
(2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 22841922
trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol
CID 132850025
4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine
CID 102020253
[(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate
CID 40555068
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
CID 154349377
N',4-diphenylpiperidine-1-carboximidamide
CID 70452820
(3R,4R)-1-(3-iodophenyl)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
CID 56669479

Frequently Asked Questions

What is the IUPAC name of trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol?
The IUPAC name of trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol (CID 73350360) is trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol.
What is the SMILES notation for trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol?
The canonical SMILES for trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol is [3H]C1CC[C@@H](N2CCC(c3ccccc3)CC2)[C@H](O)C1[3H].
What is the InChIKey of trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol?
The InChIKey is YSSBJODGIYRAMI-ALMKSMPFSA-N. The full InChI is InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1/i5T,9T/t5?,9?,16-,17-.
What are the key properties of trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol?
trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol has a molecular weight of 263.41 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol is sourced from PubChem (CID 73350360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).