trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol

C13H25NO — CID 102732321

IUPACtrans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol
SMILESCC1CCN([C@H]2CCCC[C@@H]2O)CC1C
InChIInChI=1S/C13H25NO/c1-10-7-8-14(9-11(10)2)12-5-3-4-6-13(12)15/h10-13,15H,3-9H2,1-2H3/t10?,11?,12-,13-/m0/s1
InChIKeyMDDSDZKSOPOQIM-TYUFSLCMSA-N
MW211.35 g/mol
LogP2.27
Rot. Bonds1

About trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 102732321) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID102732321
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nametrans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol
SMILESCC1CCN([C@H]2CCCC[C@@H]2O)CC1C
InChIInChI=1S/C13H25NO/c1-10-7-8-14(9-11(10)2)12-5-3-4-6-13(12)15/h10-13,15H,3-9H2,1-2H3/t10?,11?,12-,13-/m0/s1
InChIKeyMDDSDZKSOPOQIM-TYUFSLCMSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol
CID 102966062
trans-(1R,2R)-2-(3-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 102734436
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]cyclopentan-1-ol
CID 114961215
2-(3-amino-4-methylpyrrolidin-1-yl)cyclohexan-1-ol
CID 103576741
trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol
CID 102732127
2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol
CID 63165145
trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol
CID 103536869
2-(4-methylpiperidin-1-yl)cyclopentan-1-ol
CID 60712204
1-[(1R,2R)-2-hydroxycyclopentyl]piperidin-4-ol
CID 102734322
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
CID 130892790

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol (CID 102732321) is trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol is CC1CCN([C@H]2CCCC[C@@H]2O)CC1C.
What is the InChIKey of trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is MDDSDZKSOPOQIM-TYUFSLCMSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-7-8-14(9-11(10)2)12-5-3-4-6-13(12)15/h10-13,15H,3-9H2,1-2H3/t10?,11?,12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 102732321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).