trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

C17H25NO — CID 833992

IUPACtrans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1
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-/m0/s1
InChIKeyYSSBJODGIYRAMI-IRXDYDNUSA-N
MW259.39 g/mol
LogP3.17
Rot. Bonds2

About trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 833992) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID833992
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Nametrans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1
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-/m0/s1
InChIKeyYSSBJODGIYRAMI-IRXDYDNUSA-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 ≤ 500259.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (CID 833992) is trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1.
What is the InChIKey of trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is YSSBJODGIYRAMI-IRXDYDNUSA-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-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 259.39 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-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 833992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).