1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol

C15H29NO — CID 104968497

IUPAC1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol
SMILESC[C@@H]1CCC[C@H](C)N1CC(O)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-12-7-6-8-13(2)16(12)11-15(17)14-9-4-3-5-10-14/h12-15,17H,3-11H2,1-2H3/t12-,13+,15?
InChIKeyUPWTXMBIFGNCIV-NNQSOWQGSA-N
MW239.40 g/mol
LogP3.19
Rot. Bonds3

About 1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol

1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol (PubChem CID 104968497) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol
PubChem CID104968497
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol
SMILESC[C@@H]1CCC[C@H](C)N1CC(O)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-12-7-6-8-13(2)16(12)11-15(17)14-9-4-3-5-10-14/h12-15,17H,3-11H2,1-2H3/t12-,13+,15?
InChIKeyUPWTXMBIFGNCIV-NNQSOWQGSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol?
The IUPAC name of 1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol (CID 104968497) is 1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol.
What is the SMILES notation for 1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol?
The canonical SMILES for 1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol is C[C@@H]1CCC[C@H](C)N1CC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol?
The InChIKey is UPWTXMBIFGNCIV-NNQSOWQGSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-7-6-8-13(2)16(12)11-15(17)14-9-4-3-5-10-14/h12-15,17H,3-11H2,1-2H3/t12-,13+,15?.
What are the key properties of 1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol?
1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol has a molecular weight of 239.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol is sourced from PubChem (CID 104968497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).