trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol

C13H25NO2 — CID 106588237

IUPACtrans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol
SMILESCOCC1CCCN([C@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C13H25NO2/c1-16-10-11-5-4-8-14(9-11)12-6-2-3-7-13(12)15/h11-13,15H,2-10H2,1H3/t11?,12-,13-/m0/s1
InChIKeyIVGIBHSZZCCLMF-SPOOISQMSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds3

About trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol

trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 106588237) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol
PubChem CID106588237
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametrans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol
SMILESCOCC1CCCN([C@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C13H25NO2/c1-16-10-11-5-4-8-14(9-11)12-6-2-3-7-13(12)15/h11-13,15H,2-10H2,1H3/t11?,12-,13-/m0/s1
InChIKeyIVGIBHSZZCCLMF-SPOOISQMSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol (CID 106588237) is trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol is COCC1CCCN([C@H]2CCCC[C@@H]2O)C1.
What is the InChIKey of trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is IVGIBHSZZCCLMF-SPOOISQMSA-N. The full InChI is InChI=1S/C13H25NO2/c1-16-10-11-5-4-8-14(9-11)12-6-2-3-7-13(12)15/h11-13,15H,2-10H2,1H3/t11?,12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol?
trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 106588237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).