trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol

C16H24N2O — CID 122181170

IUPACtrans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC(c2ccncc2)CC1
InChIInChI=1S/C16H24N2O/c19-16-4-2-1-3-15(16)18-11-7-14(8-12-18)13-5-9-17-10-6-13/h5-6,9-10,14-16,19H,1-4,7-8,11-12H2/t15-,16-/m1/s1
InChIKeyPELJQOIVBWWROG-HZPDHXFCSA-N
MW260.38 g/mol
LogP2.56
Rot. Bonds2

About trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 122181170) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID122181170
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Nametrans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC(c2ccncc2)CC1
InChIInChI=1S/C16H24N2O/c19-16-4-2-1-3-15(16)18-11-7-14(8-12-18)13-5-9-17-10-6-13/h5-6,9-10,14-16,19H,1-4,7-8,11-12H2/t15-,16-/m1/s1
InChIKeyPELJQOIVBWWROG-HZPDHXFCSA-N
XLogP2.56
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol (CID 122181170) is trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1N1CCC(c2ccncc2)CC1.
What is the InChIKey of trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is PELJQOIVBWWROG-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H24N2O/c19-16-4-2-1-3-15(16)18-11-7-14(8-12-18)13-5-9-17-10-6-13/h5-6,9-10,14-16,19H,1-4,7-8,11-12H2/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 122181170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).