2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol

C19H25NO — CID 104968503

IUPAC2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol
SMILESC[C@@H]1CCC[C@H](C)N1CC(O)c1cccc2ccccc12
InChIInChI=1S/C19H25NO/c1-14-7-5-8-15(2)20(14)13-19(21)18-12-6-10-16-9-3-4-11-17(16)18/h3-4,6,9-12,14-15,19,21H,5,7-8,13H2,1-2H3/t14-,15+,19?
InChIKeyVIGCCVTWGILSAM-RTHVDDQRSA-N
MW283.42 g/mol
LogP4.14
Rot. Bonds3

About 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol

2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol (PubChem CID 104968503) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol
PubChem CID104968503
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol
SMILESC[C@@H]1CCC[C@H](C)N1CC(O)c1cccc2ccccc12
InChIInChI=1S/C19H25NO/c1-14-7-5-8-15(2)20(14)13-19(21)18-12-6-10-16-9-3-4-11-17(16)18/h3-4,6,9-12,14-15,19,21H,5,7-8,13H2,1-2H3/t14-,15+,19?
InChIKeyVIGCCVTWGILSAM-RTHVDDQRSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one
CID 104680358
(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
CID 117063130
1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
CID 3047655
2-(2,6-dimethylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82216604
(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 1202455
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol
CID 113246645
2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol
CID 62861024
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol
CID 83136214
2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol
CID 65139691
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol (CID 104968503) is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol is C[C@@H]1CCC[C@H](C)N1CC(O)c1cccc2ccccc12.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol?
The InChIKey is VIGCCVTWGILSAM-RTHVDDQRSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-7-5-8-15(2)20(14)13-19(21)18-12-6-10-16-9-3-4-11-17(16)18/h3-4,6,9-12,14-15,19,21H,5,7-8,13H2,1-2H3/t14-,15+,19?.
What are the key properties of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol?
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol has a molecular weight of 283.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol is sourced from PubChem (CID 104968503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).