trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol

C13H25NO3 — CID 102732265

IUPACtrans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol
SMILESOCCOC1CCN([C@H]2CCCC[C@@H]2O)CC1
InChIInChI=1S/C13H25NO3/c15-9-10-17-11-5-7-14(8-6-11)12-3-1-2-4-13(12)16/h11-13,15-16H,1-10H2/t12-,13-/m0/s1
InChIKeySRLQNRYUKKCMLS-STQMWFEESA-N
MW243.35 g/mol
LogP0.76
Rot. Bonds4

About trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol

trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 102732265) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol
PubChem CID102732265
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametrans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol
SMILESOCCOC1CCN([C@H]2CCCC[C@@H]2O)CC1
InChIInChI=1S/C13H25NO3/c15-9-10-17-11-5-7-14(8-6-11)12-3-1-2-4-13(12)16/h11-13,15-16H,1-10H2/t12-,13-/m0/s1
InChIKeySRLQNRYUKKCMLS-STQMWFEESA-N
XLogP0.76
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol (CID 102732265) is trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol is OCCOC1CCN([C@H]2CCCC[C@@H]2O)CC1.
What is the InChIKey of trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is SRLQNRYUKKCMLS-STQMWFEESA-N. The full InChI is InChI=1S/C13H25NO3/c15-9-10-17-11-5-7-14(8-6-11)12-3-1-2-4-13(12)16/h11-13,15-16H,1-10H2/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol?
trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 102732265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).